小分子和化合物库
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Oglemilast,抑制剂CAS号 : 778576-62-8 Compound CID : 11387409分子式: C20H13Cl2F2N3O5S 分子量: 516.30IUPAC Name: N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamideSMILES: CS(=O)(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C23)C(=O)NC4=C(C=NC=C4Cl)Cl)OC(F)FInChIKey: OKFDRAHPFKMAJH-UHFFFAOYSA-NInChI: InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)
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UK 383367,BMP-1(PCP)抑制剂CAS号 : 348622-88-8 Compound CID : 9818682分子式: C15H24N4O4 分子量: 324.38IUPAC Name: 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carboxamideSMILES: C1CCC(CC1)CCCC(CC(=O)NO)C2=NC(=NO2)C(=O)NInChIKey: ARJCBSRIPGJMAD-LLVKDONJSA-NInChI: InChI=1S/C15H24N4O4/c16-13(21)14-17-15(23-19-14)11(9-12(20)18-22)8-4-7-10-5-2-1-3-6-10/h10-11,22H,1-9H2,(H2,16,21)(H,18,20)/t11-/m1/s1
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茶苯海明分子式: C17H21NO · C7H7ClN4O2 分子量: 469.96IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dioneSMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2InChIKey: NFLLKCVHYJRNRH-UHFFFAOYSA-NInChI: InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)
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VU 0467485,M4受体的正变构调节剂CAS号 : 1451994-10-7 Compound CID : 89777239分子式: C17H17FN4O2S 分子量: 360.41IUPAC Name: 5-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamideSMILES: CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)F)N)CInChIKey: VFNHDIWHQGVWLL-UHFFFAOYSA-NInChI: InChI=1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
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D,L-三苯甲基盐酸盐CAS号 : 58947-95-8 Compound CID : 66007分子式: C20H32ClNO 分子量: 337.93IUPAC Name: 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochlorideSMILES: C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.ClInChIKey: QDWJJTJNXAKQKD-UHFFFAOYSA-NInChI: InChI=1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
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ML-030CAS号 : 1013750-77-0 Compound CID : 17757146分子式: C20H20N4O4S 分子量: 412.46IUPAC Name: 3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazineSMILES: COC1=CC(=C(C=C1)OC)C2=NN=C3N2N=C(CS3)C4=CC(=C(C=C4)OC)OCInChIKey: DZAUSKKPHXFGNN-UHFFFAOYSA-NInChI: InChI=1S/C20H20N4O4S/c1-25-13-6-8-16(26-2)14(10-13)19-21-22-20-24(19)23-15(11-29-20)12-5-7-17(27-3)18(9-12)28-4/h5-10H,11H2,1-4H3
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(S)-(+)-咯利普兰CAS号 : 85416-73-5(DMSO)分子式: C16H21NO3 分子量: 275.34SMILES: COC1=C(OC2CCCC2)C=C(C=C1)C3CNC(=O)C3
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Apremilast (CC-10004)CAS号 : 608141-41-9(DMSO)分子式: C22H24N2O7S 分子量: 460.5SMILES: CCOC1=C(OC)C=CC(=C1)C(C[S](C)(=O)=O)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(C)=O
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OxybutyninCAS号 : 5633-20-5(DMSO)分子式: C22H31NO3 分子量: 357.49SMILES: CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
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东莨菪碱氢溴酸盐CAS号 : 114-49-8(DMSO)分子式: C17H21NO4·HBr 分子量: 384.26SMILES: Br.CN1C2CC(CC1C3OC23)OC(=O)C(CO)C4=CC=CC=C4
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咯利普兰CAS号 : 61413-54-5(DMSO)分子式: C16H21NO3 分子量: 275.34SMILES: COC1=C(OC2CCCC2)C=C(C=C1)C3CNC(=O)C3
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奥氮平CAS号 : 132539-06-1(DMSO)分子式: C17H20N4S 分子量: 312.43975SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=C(C)S4)C=CC=C3
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