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AT-007CAS号: 2170729-29-8分子式: C17H10F3N3O3S2 分子量: 425.4IUPAC Name: 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]thieno[3,4-d]pyridazin-1-yl]acetic acidSMILES: C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=CSC=C4C(=N3)CC(=O)OInChIKey: ORQGHAJIWGGFJK-UHFFFAOYSA-NInChI: 1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25)
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AT-001CAS号: 1355612-71-3分子式: C17H10F3N5O3S 分子量: 421.35IUPAC Name: 2-[5-oxo-6-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyrazino[2,3-d]pyridazin-8-yl]acetic acidSMILES: C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=NC=CN=C4C(=N3)CC(=O)OInChIKey: YRGPAXAVTDMKDK-UHFFFAOYSA-NInChI: 1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)
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金石蚕苷CAS号: 94079-81-9 Compound CID : 6442411分子式: C35H46O19 分子量: 770.73IUPAC Name: [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)OInChIKey: YMWRMAOPKNYHMZ-VMPITWQZSA-NInChI: See more
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木通苯乙醇苷BCAS号: 105471-98-5分子式: C23H26O11 分子量: 478.46IUPAC Name: [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)OInChIKey: LFKQVVDFNHDYNK-FOXCETOMSA-NInChI: 1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1
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AKR1C1-IN-1CAS号: 4906-68-7分子式: C13H9BrO3 分子量: 293.12IUPAC Name: 3-bromo-2-hydroxy-5-phenylbenzoic acidSMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)C(=O)OInChIKey: XVZSXNULHSIRCQ-UHFFFAOYSA-NInChI: 1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
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AlrestatinCAS号: 51411-04-2分子式: C14H9NO4 分子量: 255.23IUPAC Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acidSMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)OInChIKey: GCUCIFQCGJIRNT-UHFFFAOYSA-NInChI: 1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
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钙黄芩苷BCAS号: 105471-98-5分子式: C23H26O11 分子量: 478.46IUPAC Name: [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: C1=CC(=C(C=C1CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O)OInChIKey: LFKQVVDFNHDYNK-FOXCETOMSA-NInChI: 1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1
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1-(4-氟苄基)-2-氯苯并咪唑CAS号: 84946-20-3分子式: C14H10ClFN2 分子量: 260.69IUPAC Name: 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazoleSMILES: C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)ClInChIKey: PGXALMVNIRPELS-UHFFFAOYSA-NInChI: 1S/C14H10ClFN2/c15-14-17-12-3-1-2-4-13(12)18(14)9-10-5-7-11(16)8-6-10/h1-8H,9H2
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依帕司他CAS号: 82159-09-9分子式: C15H13NO3S2 分子量: 319.4IUPAC Name: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acidSMILES: CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)OInChIKey: CHNUOJQWGUIOLD-NFZZJPOKSA-NInChI: 1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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金石蚕苷CAS号: 94079-81-9 Compound CID : 6442411分子式: C35H46O19 分子量: 770.73IUPAC Name: [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)OInChIKey: YMWRMAOPKNYHMZ-VMPITWQZSA-NInChI: See more
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Lidorestat (IDD-676)CAS号: 245116-90-9分子式: C18H11F3N2O2S 分子量: 376.35IUPAC Name: 2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acidSMILES: C1=CC=C2C(=C1)C(=CN2CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)FInChIKey: KYHVTMFADJNSGS-UHFFFAOYSA-NInChI: 1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)
