OAT
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尿蓝母CAS号: 487-60-5分子式: C14H17NO6 分子量: 295.29IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triolSMILES: C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)OInChIKey: XVARCVCWNFACQC-RKQHYHRCSA-NInChI: 1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14-/m1/s1
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雷西那德CAS号: 878672-00-5分子式: C17H14BrN3O2S 分子量: 404.28IUPAC Name: 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acidSMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)OInChIKey: FGQFOYHRJSUHMR-UHFFFAOYSA-NInChI: 1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)
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LCQ-908,DGAT1抑制剂CAS号: 956136-95-1分子式: C25H24F3N3O2 分子量: 455.47IUPAC Name: 2-[4-[4-[5-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-2-yl]phenyl]cyclohexyl]acetic acidSMILES: C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)NC4=CN=C(C=C4)C(F)(F)FInChIKey: GXALXAKNHIROPE-UHFFFAOYSA-NInChI: 1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)
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氰唑胺CAS号: 120116-88-3分子式: C13H13ClN4O2S 分子量: 324.79IUPAC Name: 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamideSMILES: CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)ClInChIKey: YXKMMRDKEKCERS-UHFFFAOYSA-NInChI: 1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
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莱辛钠CAS号: 1151516-14-1分子式: C17H13BrN3NaO2S 分子量: 426.26IUPAC Name: sodium;2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetateSMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)[O-].[Na+]InChIKey: FVYMVLTWIBGEMC-UHFFFAOYSA-MInChI: 1S/C17H14BrN3O2S.Na/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14;/h1-4,7-8,10H,5-6,9H2,(H,22,23);/q;+1/p-1
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莱辛钠CAS号: 1151516-14-1分子式: C17H13BrN3NaO2S 分子量: 426.26IUPAC Name: sodium;2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetateSMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)[O-].[Na+]InChIKey: FVYMVLTWIBGEMC-UHFFFAOYSA-MInChI: 1S/C17H14BrN3O2S.Na/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14;/h1-4,7-8,10H,5-6,9H2,(H,22,23);/q;+1/p-1
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LesinuradCAS号: 878672-00-5分子式: C17H14BrN3O2S 分子量: 404.28IUPAC Name: 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acidSMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)OInChIKey: FGQFOYHRJSUHMR-UHFFFAOYSA-NInChI: 1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)
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卡替拉韦CAS号: 1051375-10-0分子式: C19H17F2N3O5 分子量: 405.3522IUPAC Name: (3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamideSMILES: CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)OInChIKey: WCWSTNLSLKSJPK-LKFCYVNXSA-NInChI: 1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1
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EpaminuradCAS号: 1198153-15-9 Compound CID : 44608229分子式: C14H10Br2N2O3 分子量: 414.05IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanoneSMILES: C1COC2=C(N1C(=O)C3=CC(=C(C(=C3)Br)O)Br)C=NC=C2InChIKey: ZMVGQIIOXCGAFV-UHFFFAOYSA-NInChI: 1S/C14H10Br2N2O3/c15-9-5-8(6-10(16)13(9)19)14(20)18-3-4-21-12-1-2-17-7-11(12)18/h1-2,5-7,19H,3-4H2
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Cabotegravir sodium分子式: C19H16F2N3NaO5 分子量: 427.33IUPAC Name: sodium;(3R,6S)-12-[(2,4-difluorophenyl)methylcarbamoyl]-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-dien-10-olateSMILES: CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]InChIKey: AEZBWGMXBKPGFP-KIUAEZIZSA-MInChI: 1S/C19H17F2N3O5.Na/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21;/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27);/q;+1/p-1/t9-,14+;/m0./s1
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桑黄酮CAS号: 62949-79-5 Compound CID : 5481958分子式: C25H26O6 分子量: 422.5IUPAC Name: 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3,8-bis(3-methylbut-2-enyl)chromen-4-oneSMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)CInChIKey: UWQYBLOHTQWSQD-UHFFFAOYSA-NInChI: 1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3
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