小分子和化合物库

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显示第112个,产品总数69

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  1. ALFA-胸腺肽
    CAS号 : 29451-71-6        Compound CID : 22146595
    分子式: C61H84N16O13S        分子量: 1281.48
    IUPAC Name: N-[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[1-[3-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide
    SMILES: CC(C)C(C(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C5CCCN5C(=O)C(C(C)C)NC(=O)C6CCC(=O)N6
    InChIKey: AUOCWSNQHWTPIJ-UHFFFAOYSA-N
    InChI: InChI=1S/C61H84N16O13S/c1-32(2)50(60(89)66-30-49(80)70-45(27-37-29-64-31-67-37)58(87)73-43(25-35-13-8-7-9-14-35)57(86)71-40(52(63)81)22-24-91-6)75-53(82)34(5)68-56(85)44(26-36-28-65-39-16-11-10-15-38(36)39)74-54(83)42(18-20-47(62)78)72-59(88)46-17-12-23-77(46)61(90)51(33(3)4)76-55(84)41-19-21-48(79)69-41/h7-11,13-16,28-29,31-34,40-46,50-51,65H,12,17-27,30H2,1-6H3,(H2,62,78)(H2,63,81)(H,64,67)(H,66,89)(H,68,85)(H,69,79)(H,70,80)(H,71,86)(H,72,88)(H,73,87)(H,74,83)(H,75,82)(H,76,84)
  2. 巴氯酚
    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)
  3. (R)-巴氯芬
    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
  4. 钙离子载体 A23187
      规格或纯度 :
    • ≥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
  5. MK-5046
    CAS号 : 1022152-70-0        Compound CID : 49871766
    分子式: C20H18F6N4O        分子量: 444.37
    IUPAC Name: (2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
    SMILES: C1CC1(CC2=CN=C(N2)CC(C3=CC=C(C=C3)N4C=CC=N4)(C(F)(F)F)O)C(F)(F)F
    InChIKey: UJINBEQCDMOAHM-SFHVURJKSA-N
    InChI: InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
  6. 3-APPA (CGP 27492)
    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
  7. GS 39783
    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)
  8. GABA,抑制性神经递质
    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)
  9. CGP 7930,阳性GABA B受体变构调节剂
    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
  10. CGP 35348,GABA B拮抗剂
    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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