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小分子和化合物库
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NNC 63-0532,非肽NOP激动剂CAS号 : 250685-44-0 Compound CID : 9803475分子式: C27H29N3O3 分子量: 443.54IUPAC Name: methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetateSMILES: COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5InChIKey: AQMPIDSGLFVVPL-UHFFFAOYSA-NInChI: InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
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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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脑帕多CAS号 : 863513-91-1 Compound CID : 11848225分子式: C24H27FN2O 分子量: 378.48IUPAC Name: 6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amineSMILES: CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5InChIKey: CSMVOZKEWSOFER-UHFFFAOYSA-NInChI: InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC 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 acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: 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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MCOPPB三盐酸盐水合物CAS号 : 1028969-49-4 Compound CID : 24800108分子式: C26H40N4 分子量: 408.6IUPAC Name: 1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazoleSMILES: CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5CCCNC5InChIKey: CYYNMPPFEJPBJD-OAQYLSRUSA-NInChI: InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/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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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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SKF 97541,GABA B激动剂CAS号 : 127729-35-5 Compound CID : 5230分子式: C4H12NO2P 分子量: 137.119IUPAC Name: 3-aminopropyl(methyl)phosphinic acidSMILES: CP(=O)(CCCN)OInChIKey: NHVRIDDXGZPJTJ-UHFFFAOYSA-NInChI: InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
