小分子和化合物库
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Zileuton (A-64077)CAS号 : 111406-87-2(DMSO)分子式: C11H12N2O2S 分子量: 236.29SMILES: CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1
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扎鲁斯特CAS号 : 107753-78-6(DMSO)分子式: C31H33N3O6S 分子量: 575.68SMILES: COC1=CC(=CC=C1CC2=C[N](C)C3=C2C=C(NC(=O)OC4CCCC4)C=C3)C(=O)N[S](=O)(=O)C5=CC=CC=C5C
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氟维司群CAS号 : 129453-61-8(DMSO)分子式: C32H47F5O3S 分子量: 606.77SMILES: CC12CCC3C(C(CCCCCCCCC[S](=O)CCCC(F)(F)C(F)(F)F)CC4=C3C=CC(=C4)O)C1CCC2O
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瑞格非尼CAS号 : 755037-03-7(DMSO)分子式: C21H15ClF4N4O3 分子量: 482.82SMILES: CNC(=O)C1=CC(=CC=N1)OC2=CC(=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)F
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索拉非尼CAS号 : 284461-73-0(DMSO)分子式: C21H16ClF3N4O3 分子量: 464.82SMILES: CNC(=O)C1=CC(=CC=N1)OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2
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奥沙普秦CAS号 : 21256-18-8 Compound CID : 4614分子式: C18H15NO3 分子量: 293.32IUPAC Name: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acidSMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3InChIKey: OFPXSFXSNFPTHF-UHFFFAOYSA-NInChI: InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
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瑞格非尼CAS号 : 755037-03-7 Compound CID : 11167602分子式: C21H15ClF4N4O3 分子量: 482.82IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamideSMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)FInChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-NInChI: InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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索拉非尼CAS号 : 284461-73-0 Compound CID : 216239分子式: C21H16ClF3N4O3 分子量: 464.83IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamideSMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)FInChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-NInChI: InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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齐留通(Zileuton)CAS号 : 111406-87-2 Compound CID : 60490分子式: C11H12N2O2S 分子量: 236.29IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyureaSMILES: CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)OInChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-NInChI: InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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氟维司群CAS号 : 129453-61-8 Compound CID : 104741分子式: C32H47F5O3S 分子量: 606.77IUPAC Name: (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diolSMILES: CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)FInChIKey: VWUXBMIQPBEWFH-WCCTWKNTSA-NInChI: InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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PF 750,FAAH抑制剂CAS号 : 959151-50-9 Compound CID : 25154868分子式: C22H23N3O 分子量: 345.44IUPAC Name: N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamideSMILES: C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)NC4=CC=CC=C4InChIKey: BIODYGOZWZNCAG-UHFFFAOYSA-NInChI: InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
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