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雷公藤甲素CAS号 : 38748-32-2 Compound CID : 107985分子式: C20H24O6 分子量: 360.4IUPAC Name: (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-oneSMILES: CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)CInChIKey: DFBIRQPKNDILPW-CIVMWXNOSA-NInChI: InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
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SC-560,COX-1抑制剂CAS号 : 188817-13-2 Compound CID : 4306515分子式: C17H12ON2ClF3 分子量: 352.74IUPAC Name: 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazoleSMILES: COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)ClInChIKey: PQUGCKBLVKJMNT-UHFFFAOYSA-NInChI: InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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利克飞龙CAS号 : 156897-06-2 Compound CID : 133021分子式: C23H22ClNO2 分子量: 379.88IUPAC Name: 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acidSMILES: CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)CInChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-NInChI: InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
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莫非佐酸CAS号 : 78967-07-4 Compound CID : 4237分子式: C19H17NO5 分子量: 339.35IUPAC Name: 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acidSMILES: COC1=CC=C(C=C1)C2=C(ON=C2C3=CC=C(C=C3)OC)CC(=O)OInChIKey: DJEIHHYCDCTAAH-UHFFFAOYSA-NInChI: InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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CAY10404CAS号 : 340267-36-9 Compound CID : 10429020分子式: C17H12F3NO3S 分子量: 367.34IUPAC Name: 3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)-1,2-oxazoleSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=C2C3=CC=CC=C3)C(F)(F)FInChIKey: KKBWWVXRKULXHF-UHFFFAOYSA-NInChI: InChI=1S/C17H12F3NO3S/c1-25(22,23)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(24-21-15)17(18,19)20/h2-10H,1H3
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西米考昔CAS号 : 265114-23-6 Compound CID : 213053分子式: C16H13ClFN3O3S 分子量: 381.81IUPAC Name: 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamideSMILES: COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)FInChIKey: KYXDNECMRLFQMZ-UHFFFAOYSA-NInChI: InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
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LumiracoxibCAS号 : 220991-20-8(DMSO)分子式: C15H13ClFNO2 分子量: 293.72SMILES: CC1=CC=C(NC2=C(Cl)C=CC=C2F)C(=C1)CC(O)=O
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SuprofenCAS号 : 40828-46-4(DMSO)分子式: C14H12O3S 分子量: 260.31SMILES: CC(C(O)=O)C1=CC=C(C=C1)C(=O)C2=CC=CS2
