小分子和化合物库

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显示第112个,产品总数81

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  1. 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)
  2. (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
  3. 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
  4. 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
  5. BIM 23052,生长抑素(sst 5)受体5激动剂
    CAS号 : 133073-82-2        Compound CID : 9963480
    分子式: C61H75N11O10        分子量: 1122.33
    IUPAC Name: (2S)-6-amino-N-[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
    SMILES: CC(C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)N)O
    InChIKey: HMTCBXPQKWFOMG-QWXJMLLVSA-N
    InChI: InChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
  6. BIM 23056,生长抑素受体5(sst 5)拮抗剂
    CAS号 : 150155-61-6        Compound CID : 16133799
    分子式: C71H81N11O9        分子量: 1232.49
    IUPAC Name: (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
    SMILES: CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC8=CC=CC=C8)N
    InChIKey: VPTPBEUWKCLZGU-OOSWLFMASA-N
    InChI: InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-22-10-5-11-23-47)67(87)77-58(64(74)84)41-49-29-32-50-24-12-13-25-51(50)36-49)82-66(86)57(28-16-17-35-72)76-70(90)62(42-52-43-75-56-27-15-14-26-54(52)56)80-69(89)60(40-48-30-33-53(83)34-31-48)79-68(88)59(38-46-20-8-4-9-21-46)78-65(85)55(73)37-45-18-6-3-7-19-45/h3-15,18-27,29-34,36,43-44,55,57-63,75,83H,16-17,28,35,37-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
  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)
  11. SKF 97541,GABA B激动剂
    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)
  12. 兰瑞肽
    CAS号 : 108736-35-2        Compound CID : 71349
    分子式: C54H69N11O10S2        分子量: 1096.33
    IUPAC Name: 10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
    SMILES: CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N
    InChIKey: PUDHBTGHUJUUFI-UHFFFAOYSA-N
    InChI: InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)
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