General Information of the Compound
| Compound ID |
CP0393738
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| Compound Name |
1-(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]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C34H29F6N3O7S
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| Molecular Weight |
737.675
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| Canonical SMILES |
COc1ccccc1C1(CC1)C(=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/C34H29F6N3O7S/c1-19-14-20(16-51(46,47)42-31(45)32(11-12-32)23-7-3-4-8-25(23)48-2)9-10-24(19)43-15-22-26(30(43)44)28(49-17-33(35,36)37)21-6-5-13-41-27(21)29(22)50-18-34(38,39)40/h3-10,13-14H,11-12,15-18H2,1-2H3,(H,42,45)
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| InChIKey |
PPHCNMJYLXSGTH-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