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小分子和化合物库
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VU 0364439,mGlu4受体的正变构调节剂CAS号 : 1246086-78-1 Compound CID : 46934289分子式: C18H13Cl2N3O3S 分子量: 422.29IUPAC Name: N-[3-chloro-4-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-2-carboxamideSMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)ClInChIKey: IXHCGJXBIHHIEF-UHFFFAOYSA-NInChI: InChI=1S/C18H13Cl2N3O3S/c19-13-5-1-2-6-15(13)23-27(25,26)17-9-8-12(11-14(17)20)22-18(24)16-7-3-4-10-21-16/h1-11,23H,(H,22,24)
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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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ACPT-II,竞争性mGlu受体拮抗剂CAS号 : 195209-04-2 Compound CID : 6604820分子式: C8H11NO6 分子量: 217.18IUPAC Name: (1R,2S)-4-aminocyclopentane-1,2,4-tricarboxylic acidSMILES: C1C(C(CC1(C(=O)O)N)C(=O)O)C(=O)OInChIKey: FERIKTBTNCSGJS-OBLUMXEWSA-NInChI: InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,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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VU 0361737CAS号 : 1161205-04-4(DMSO)分子式: C13H11ClN2O2 分子量: 262.69SMILES: COC1=CC(=CC=C1Cl)NC(=O)C2=NC=CC=C2
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VU 0364439CAS号 : 1246086-78-1(DMSO)分子式: C18H13Cl2N3O3S 分子量: 422.29SMILES: ClC1=C(N[S](=O)(=O)C2=C(Cl)C=C(NC(=O)C3=NC=CC=C3)C=C2)C=CC=C1
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VU 0364770CAS号 : 61350-00-3(DMSO)分子式: C12H9ClN2O 分子量: 232.67SMILES: ClC1=CC(=CC=C1)NC(=O)C2=NC=CC=C2
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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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VU0080241CAS号 : 393845-24-4 Compound CID : 3260619分子式: C19H23N5 分子量: 321.42IUPAC Name: 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidineSMILES: CC1CCCN(C1)C2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)C)CInChIKey: CLQVVBPDAXJGBV-UHFFFAOYSA-NInChI: InChI=1S/C19H23N5/c1-13-6-7-17(15(3)9-13)24-19-16(10-22-24)18(20-12-21-19)23-8-4-5-14(2)11-23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3
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VU0080241CAS号 : 393845-24-4(DMSO)分子式: C19H23N5 分子量: 321.42SMILES: CC1CCCN(C1)C2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)C)C
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MPEP,mGlu 5拮抗剂CAS号 : 96206-92-7 Compound CID : 3025961分子式: C14H11N 分子量: 193.24IUPAC Name: 2-methyl-6-(2-phenylethynyl)pyridineSMILES: CC1=NC(=CC=C1)C#CC2=CC=CC=C2InChIKey: NEWKHUASLBMWRE-UHFFFAOYSA-NInChI: InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
