General Information of the Compound
| Compound ID |
CP0505113
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| Compound Name |
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(trifluoromethyl)phenyl]acetamide
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| Structure |
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| Formula |
C32H30F3N3O6S
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| Molecular Weight |
641.668
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2cccnc12)c1ccc(CS(=O)(=O)NC(=O)Cc2ccccc2C(F)(F)F)cc1C
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| InChI |
InChI=1S/C32H30F3N3O6S/c1-4-43-29-22-10-8-14-36-28(22)30(44-5-2)23-17-38(31(40)27(23)29)25-13-12-20(15-19(25)3)18-45(41,42)37-26(39)16-21-9-6-7-11-24(21)32(33,34)35/h6-15H,4-5,16-18H2,1-3H3,(H,37,39)
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| InChIKey |
XXNIVAFOIMPVQS-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