化学生物学
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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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3-(1-苄基-1,2,3,6-四氢吡啶-4-基)-1 H -吲哚CAS号 : 17403-05-3 Compound CID : 6618861分子式: C20H20N2 分子量: 288.39IUPAC Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indoleSMILES: C1CN(CC=C1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4InChIKey: TYKXLUMYKFFSJE-UHFFFAOYSA-NInChI: InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
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7-氯-1,2,3,4-四氢异喹啉CAS号 : 82771-60-6 Compound CID : 12595069分子式: C9H10ClN 分子量: 167.6IUPAC Name: 7-chloro-1,2,3,4-tetrahydroisoquinolineSMILES: C1CNCC2=C1C=CC(=C2)ClInChIKey: BLRKQLICTKRDDZ-UHFFFAOYSA-NInChI: InChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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7-[4-[4-(2,3-二氯苯基)-1-哌嗪基]丁氧基]-2(1H)-喹啉酮CAS号 : 129722-25-4 Compound CID : 10114519分子式: C23H25Cl2N3O2 分子量: 446.37IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-oneSMILES: C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C(C(=CC=C4)Cl)ClInChIKey: CDONPRYEWWPREK-UHFFFAOYSA-NInChI: InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29)
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8-氯-1,2,3,4-四氢异喹啉CAS号 : 75416-50-1 Compound CID : 12595071分子式: C9H10ClN 分子量: 167.64IUPAC Name: 8-chloro-1,2,3,4-tetrahydroisoquinolineSMILES: C1CNCC2=C1C=CC=C2ClInChIKey: HQSAGIBNZOOQQL-UHFFFAOYSA-NInChI: InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
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7-硝基-1,2,3,4-四氢异喹啉CAS号 : 42923-79-5 Compound CID : 6424833分子式: C9H10N2O2 分子量: 178.19IUPAC Name: 7-nitro-1,2,3,4-tetrahydroisoquinolineSMILES: C1CNCC2=C1C=CC(=C2)[N+](=O)[O-]InChIKey: YPRWYZSUBZXORL-UHFFFAOYSA-NInChI: InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2