General Information of the Compound
| Compound ID |
CP0487396
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| Compound Name |
19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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| Structure |
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| Formula |
C33H37F3N4O6S
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| Molecular Weight |
674.742
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)C(F)(F)F)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C33H37F3N4O6S/c1-38(2)47(44,45)37-29(41)20-9-11-23-26(13-20)40-16-31(30(42)39-17-32(43,18-39)33(34,35)36)15-25(31)24-14-21(46-3)10-12-22(24)28(40)27(23)19-7-5-4-6-8-19/h9-14,19,25,43H,4-8,15-18H2,1-3H3,(H,37,41)
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| InChIKey |
QVFYUCNTPIHJMH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound