小分子和化合物库
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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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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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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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SB 328437(DMSO溶液)CAS号 : 247580-43-4 Compound CID : 10474776分子式: C21H18N2O5 分子量: 378.38IUPAC Name: methyl (2S)-2-(naphthalene-1-carbonylamino)-3-(4-nitrophenyl)propanoateSMILES: COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC3=CC=CC=C32InChIKey: VMFGCGRAIBLAFY-IBGZPJMESA-NInChI: InChI=1S/C21H18N2O5/c1-28-21(25)19(13-14-9-11-16(12-10-14)23(26)27)22-20(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3,(H,22,24)/t19-/m0/s1
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SB 328437,CCR3拮抗剂CAS号 : 247580-43-4 Compound CID : 10474776分子式: C21H18N2O5 分子量: 378.38IUPAC Name: methyl (2S)-2-(naphthalene-1-carbonylamino)-3-(4-nitrophenyl)propanoateSMILES: COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC3=CC=CC=C32InChIKey: VMFGCGRAIBLAFY-IBGZPJMESA-NInChI: InChI=1S/C21H18N2O5/c1-28-21(25)19(13-14-9-11-16(12-10-14)23(26)27)22-20(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3,(H,22,24)/t19-/m0/s1
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3-(3-acetylphenyl)-1-[3-[(2R,4S)-2-[(1S)-1-hydroxypropyl]-4-(phenylmethyl)piperidin-1-yl]propyl]ureaCompound CID : 9868459IUPAC Name: 3-(3-acetylphenyl)-1-[3-[(2R,4S)-2-[(1S)-1-hydroxypropyl]-4-(phenylmethyl)piperidin-1-yl]propyl]ureaSMILES: CC[C@@H]([C@H]1C[C@H](CCN1CCCNC(=O)Nc1cccc(c1)C(=O)C)Cc1ccccc1)OInChIKey: UEKNCACYTQCRSI-RCXJIHSJSA-NInChI: InChI=1S/C27H37N3O3/c1-3-26(32)25-18-22(17-21-9-5-4-6-10-21)13-16-30(25)15-8-14-28-27(33)29-24-12-7-11-23(19-24)20(2)31/h4-7,9-12,19,22,25-26,32H,3,8,13-18H2,1-2H3,(H2,28,29,33)/t22-,25-,26+/m1/s1
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GW766994CAS号 : 408303-43-5 Compound CID : 10218765分子式: C21H24Cl2N4O3 分子量: 451.35IUPAC Name: 4-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzamideSMILES: C1COC(CN1CC2=CC(=C(C=C2)Cl)Cl)CNC(=O)NCC3=CC=C(C=C3)C(=O)NInChIKey: GPLUUMAKBFSDIE-KRWDZBQOSA-NInChI: InChI=1S/C21H24Cl2N4O3/c22-18-6-3-15(9-19(18)23)12-27-7-8-30-17(13-27)11-26-21(29)25-10-14-1-4-16(5-2-14)20(24)28/h1-6,9,17H,7-8,10-13H2,(H2,24,28)(H2,25,26,29)/t17-/m0/s1
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