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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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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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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硝苯地平CAS号 : 21829-25-4(DMSO)分子式: C17H18N2O6 分子量: 346.33SMILES: COC(=O)C1=C(C)NC(=C(C1C2=C(C=CC=C2)[N+]([O-])=O)C(=O)OC)C
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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
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硝苯地平CAS号 : 21829-25-4 Compound CID : 4485分子式: C17H18N2O6 分子量: 346.33IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateSMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCInChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-NInChI: InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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5-(4-苯氧基丁氧基)补骨脂素(PAP-1)CAS号 : 870653-45-5 Compound CID : 11302540分子式: C21H18O5 分子量: 350.36IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-oneSMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-NInChI: InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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VU 0364770,mGlu4受体的正变构调节剂CAS号 : 61350-00-3 Compound CID : 836002分子式: C12H9ClN2O 分子量: 232.67IUPAC Name: N-(3-chlorophenyl)pyridine-2-carboxamideSMILES: C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)ClInChIKey: SUYUTNCKIOLMAJ-UHFFFAOYSA-NInChI: InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)
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