General Information of the Compound
| Compound ID |
CP0433298
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| Compound Name |
2-(2-methoxyphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methylsulfonyl]acetamide
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| Structure |
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| Formula |
C32H27F6N3O7S
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| Molecular Weight |
711.637
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| Canonical SMILES |
COc1ccccc1CC(=O)NS(=O)(=O)Cc1ccc(N2Cc3c(C2=O)c(OCC(F)(F)F)c2cccnc2c3OCC(F)(F)F)c(C)c1
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| InChI |
InChI=1S/C32H27F6N3O7S/c1-18-12-19(15-49(44,45)40-25(42)13-20-6-3-4-8-24(20)46-2)9-10-23(18)41-14-22-26(30(41)43)28(47-16-31(33,34)35)21-7-5-11-39-27(21)29(22)48-17-32(36,37)38/h3-12H,13-17H2,1-2H3,(H,40,42)
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| InChIKey |
OECLJIUWGIVHBE-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