小分子和化合物库
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AlprostadilCAS号 : 745-65-3(DMSO)分子式: C20H34O5 分子量: 354.48SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1CCCCCCC(O)=O
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前列腺素E1分子式: C20H34O5 分子量: 354.48IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acidSMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)OInChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-NInChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
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(R)-巴氯芬CAS号 : 69308-37-8分子式: C10H12ClNO2 分子量: 213.66IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acidSMILES: C1=CC(=CC=C1C(CC(=O)O)CN)ClInChIKey: KPYSYYIEGFHWSV-QMMMGPOBSA-NInChI: 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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3-APPA (CGP 27492)CAS号 : 103680-47-3 Compound CID : 6335948分子式: C3H10NO2P 分子量: 123.09IUPAC Name: 3-aminopropyl-hydroxy-oxophosphaniumSMILES: C(CN)C[P+](=O)OInChIKey: MQIWYGZSHIXQIU-UHFFFAOYSA-OInChI: InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
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R)-Butaprost,EP2激动剂CAS号 : 69648-38-0 Compound CID : 5311035分子式: C24H40O5 分子量: 408.57IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoateSMILES: CCCC1(CCC1)C(CC=CC2C(CC(=O)C2CCCCCCC(=O)OC)O)OInChIKey: XRISENIKJUKIHD-LHQZMKCDSA-NInChI: InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3/b11-8+/t18-,19-,21-,22-/m1/s1
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GS 39783CAS号 : 39069-52-8 Compound CID : 6604928分子式: C15H23N5O2S 分子量: 337.44IUPAC Name: 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamineSMILES: CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3InChIKey: GSGVDKOCBKBMGG-UHFFFAOYSA-NInChI: 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CAS号 : 56-12-2分子式: C4H9NO2 分子量: 103.12IUPAC Name: 4-aminobutanoic acidSMILES: C(CC(=O)O)CNInChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-NInChI: 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CAS号 : 57717-80-3 Compound CID : 5024764分子式: C19H32O2 分子量: 292.46IUPAC Name: 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenolSMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)COInChIKey: XLWJPQQFJNGUPA-UHFFFAOYSA-NInChI: 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CAS号 : 123690-79-9 Compound CID : 107699分子式: C8H20NO4P 分子量: 225.22IUPAC Name: 3-aminopropyl(diethoxymethyl)phosphinic acidSMILES: CCOC(OCC)P(=O)(CCCN)OInChIKey: QIIVUOWTHWIXFO-UHFFFAOYSA-NInChI: 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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伊洛前列素CAS号 : 78919-13-8 Compound CID : 5311181分子式: C22H32O4 分子量: 360.49IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acidSMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)OInChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-NInChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
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