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穿心莲内酯分子式: C20H30O5 分子量: 350.45IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-oneSMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)OInChIKey: BOJKULTULYSRAS-OTESTREVSA-NInChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
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穿心莲内酯分子式: C20H30O5 分子量: 350.45IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-oneSMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)OInChIKey: BOJKULTULYSRAS-OTESTREVSA-NInChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
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ML130 (Nodinitib-1),NOD1抑制剂CAS号 : 799264-47-4 Compound CID : 1088438分子式: C14H13N3O2S 分子量: 287.34IUPAC Name: 1-(4-methylphenyl)sulfonylbenzimidazol-2-amineSMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2NInChIKey: SRFABRWQVPCPRG-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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异丁司特CAS号 : 50847-11-5 Compound CID : 3671分子式: C14H18N2O 分子量: 230.31IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-oneSMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)CInChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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异丁司特CAS号 : 50847-11-5 Compound CID : 3671分子式: C14H18N2O 分子量: 230.31IUPAC Name: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-oneSMILES: CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)CInChIKey: ZJVFLBOZORBYFE-UHFFFAOYSA-NInChI: InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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GSK717CAS号 : 1595278-21-9(DMSO)分子式: C28H28N4O2 分子量: 452.5SMILES: CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5
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GSK717CAS号 : 1595278-21-9 Compound CID : 102369397分子式: C28H28N4O2 分子量: 452.5IUPAC Name: N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylbenzamideSMILES: CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5InChIKey: YDOATJUIIFWTKQ-UHFFFAOYSA-NInChI: InChI=1S/C28H28N4O2/c1-31(28(34)21-8-3-2-4-9-21)17-16-26-30-24-12-5-6-13-25(24)32(26)19-27(33)29-23-15-14-20-10-7-11-22(20)18-23/h2-6,8-9,12-15,18H,7,10-11,16-17,19H2,1H3,(H,29,33)
