小分子和化合物库
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1-(3,4-二氯苄基)-1H-吲哚-2,3-二酮CAS号 : 79183-19-0分子式: C15H9Cl2NO2 分子量: 306.14IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=C(C=C3)Cl)ClInChIKey: KGRJPLRFGLMQMV-UHFFFAOYSA-NInChI: InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2
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UCB 35625,CCR1和CCR3拮抗剂CAS号 : 202796-42-7 Compound CID : 6918496分子式: C30H37Cl2IN2O2 分子量: 655.44IUPAC Name: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodideSMILES: CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5.[I-]InChIKey: FOAFBMYSXIGAOX-LQGGPMKRSA-NInChI: InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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J 113863,CCR1趋化因子受体拮抗剂CAS号 : 202796-41-6 Compound CID : 6918496分子式: C30H37Cl2IN2O2 分子量: 655.44IUPAC Name: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodideSMILES: CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5.[I-]InChIKey: FOAFBMYSXIGAOX-LQGGPMKRSA-NInChI: InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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J 113863CAS号 : 353791-85-2 Compound CID : 6918496分子式: C30H37Cl2IN2O2 分子量: 655.44IUPAC Name: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodideSMILES: CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5=CCCCCCC5.[I-]InChIKey: FOAFBMYSXIGAOX-LQGGPMKRSA-NInChI: InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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1-(3,4-二氯苄基)-1H-吲哚-2,3-二酮CAS号 : 79183-19-0(DMSO)分子式: C15H9Cl2NO2 分子量: 306.14SMILES: ClC1=C(Cl)C=C(CN2C(=O)C(=O)C3=C2C=CC=C3)C=C1
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隐丹参酮CAS号 : 35825-57-1(DMSO)分子式: C19H20O3 分子量: 296.36SMILES: CC1COC2=C1C(=O)C(=O)C3=C4CCCC(C)(C)C4=CC=C23
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GW 766994CAS号 : 408303-43-5(DMSO)分子式: C21H24Cl2N4O3 分子量: 451.35SMILES: C1COC(CN1CC2=CC(=C(C=C2)Cl)Cl)CNC(=O)NCC3=CC=C(C=C3)C(=O)N
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1-(2-bromoethyl)-1H-indole-2,3-dione分子式: C10H8BrNO2 分子量: 254.08IUPAC Name: 1-(2-bromoethyl)indole-2,3-dioneSMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CCBrInChIKey: SJALPCXFOSGNST-UHFFFAOYSA-NInChI: InChI=1S/C10H8BrNO2/c11-5-6-12-8-4-2-1-3-7(8)9(13)10(12)14/h1-4H,5-6H2
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1-(4-Nitrophenyl)-2-phenylethane-1,2-dioneCAS号 : 22711-24-6 Compound CID : 283893分子式: C14H9NO4 分子量: 255.22IUPAC Name: 1-(4-nitrophenyl)-2-phenylethane-1,2-dioneSMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]InChIKey: GPDKREBNFFEDHW-UHFFFAOYSA-NInChI: InChI=1S/C14H9NO4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H
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2-Nitrophenanthrene-9,10-dione分子式: C14H7NO4 分子量: 253.21IUPAC Name: 2-nitrophenanthrene-9,10-dioneSMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=OInChIKey: KNAXWOBOCVVMST-UHFFFAOYSA-NInChI: InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
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1,2-Dinaphthalen-2-ylethane-1,2-dioneCAS号 : 29574-57-0 Compound CID : 3274712分子式: C22H14O2 分子量: 310.3IUPAC Name: 1,2-dinaphthalen-2-ylethane-1,2-dioneSMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)C(=O)C3=CC4=CC=CC=C4C=C3InChIKey: CUUMQBIJNWGQLU-UHFFFAOYSA-NInChI: InChI=1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
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