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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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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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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VU 0361737,mGlu4受体的正变构调节剂CAS号 : 1161205-04-4 Compound CID : 44191096分子式: C13H11ClN2O2 分子量: 262.69IUPAC Name: N-(4-chloro-3-methoxyphenyl)pyridine-2-carboxamideSMILES: COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)ClInChIKey: ARYUXFNGXHNNDM-UHFFFAOYSA-NInChI: InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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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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LY341495,II类拮抗剂CAS号 : 201943-63-7 Compound CID : 9819927分子式: C20H19NO5 分子量: 353.38IUPAC Name: (1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropane-1-carboxylic acidSMILES: C1C(C1C(CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)OInChIKey: VLZBRVJVCCNPRJ-KPHUOKFYSA-NInChI: InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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