小分子和化合物库

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巴氯酚
- ≥98%
CAS号 : 1134-47-0 Compound CID : 2284

分子式: C₁₀H₁₂ClNO₂ 分子量: 213.66

IUPAC Name: 4-amino-3-(4-chlorophenyl)butanoic acid

SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl

InChIKey: KPYSYYIEGFHWSV-UHFFFAOYSA-N

InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
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(R)-巴氯芬
- ≥98%
CAS号 : 69308-37-8

分子式: C₁₀H₁₂ClNO₂ 分子量: 213.66

IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acid

SMILES: C1=CC(=CC=C1C(CC(=O)O)CN)Cl

InChIKey: KPYSYYIEGFHWSV-QMMMGPOBSA-N

InChI: InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
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钙离子载体 A23187
- ≥97%
CAS号 : 52665-69-7 Compound CID : 11957499

分子式: C₂₉H₃₇N₃O₆ 分子量: 523.62

IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N

InChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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甘丙肽,人
- ≥97%(HPLC)
CAS号 : 119418-04-1 Compound CID : 16133823

分子式: C₁₃₉H₂₁₀N₄₂O₄₃ 分子量: 3157.41

IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

SMILES: CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC2=CNC=N2)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC3=CNC=N3)NC(=O)C4CCCN4C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)CN

InChIKey: CBSXZYWGVAQSHI-RUKUCZSXSA-N

InChI: InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1
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3-APPA (CGP 27492)
- 100 mM/ml
CAS号 : 103680-47-3 Compound CID : 6335948

分子式: C₃H₁₀NO₂P 分子量: 123.09

IUPAC Name: 3-aminopropyl-hydroxy-oxophosphanium

SMILES: C(CN)C[P+](=O)O

InChIKey: MQIWYGZSHIXQIU-UHFFFAOYSA-O

InChI: InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
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GS 39783
- ≥99%
CAS号 : 39069-52-8 Compound CID : 6604928

分子式: C₁₅H₂₃N₅O₂S 分子量: 337.44

IUPAC Name: 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine

SMILES: CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3

InChIKey: GSGVDKOCBKBMGG-UHFFFAOYSA-N

InChI: InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)
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GABA,抑制性神经递质
- 100mM in H2O
CAS号 : 56-12-2

分子式: C₄H₉NO₂ 分子量: 103.12

IUPAC Name: 4-aminobutanoic acid

SMILES: C(CC(=O)O)CN

InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

InChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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CGP 7930,阳性GABA B受体变构调节剂
- ≥98%
CAS号 : 57717-80-3 Compound CID : 5024764

分子式: C₁₉H₃₂O₂ 分子量: 292.46

IUPAC Name: 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol

SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)CO

InChIKey: XLWJPQQFJNGUPA-UHFFFAOYSA-N

InChI: InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
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CGP 35348,GABA B拮抗剂
- ≥98%
CAS号 : 123690-79-9 Compound CID : 107699

分子式: C₈H₂₀NO₄P 分子量: 225.22

IUPAC Name: 3-aminopropyl(diethoxymethyl)phosphinic acid

SMILES: CCOC(OCC)P(=O)(CCCN)O

InChIKey: QIIVUOWTHWIXFO-UHFFFAOYSA-N

InChI: InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
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SKF 97541,GABA B激动剂
- ≥98%
CAS号 : 127729-35-5 Compound CID : 5230

分子式: C₄H₁₂NO₂P 分子量: 137.119

IUPAC Name: 3-aminopropyl(methyl)phosphinic acid

SMILES: CP(=O)(CCCN)O

InChIKey: NHVRIDDXGZPJTJ-UHFFFAOYSA-N

InChI: InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
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SCH 50911,GABA拮抗剂
- ≥98%
CAS号 : 733717-87-8 Compound CID : 5311429

分子式: C₈H₁₅NO₃ 分子量: 173.21

IUPAC Name: 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid

SMILES: CC1(COC(CN1)CC(=O)O)C

InChIKey: SEYCKMQSPUVYEF-LURJTMIESA-N

InChI: InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
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RAC BHFF,GABAB受体正变构调节剂
- ≥98%(HPLC)
CAS号 : 123557-91-5 Compound CID : 4332683

分子式: C₁₇H₂₁F₃O₃ 分子量: 330.34

IUPAC Name: 5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one

SMILES: CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C2(C(F)(F)F)O

InChIKey: RVNOANDLZIIFHB-UHFFFAOYSA-N

InChI: InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3
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