General Information of the Compound
| Compound ID |
CP0505590
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| Compound Name |
2-chloro-N-(1-(3-methyl-4-(6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-6H-pyrrolo[3,4-g]quinolin-7(8H)-yl)benzyl)cyclopropylcarbamoyl)benzenesulfonamide
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| Structure |
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| Formula |
C33H27ClF6N4O6S
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| Molecular Weight |
757.109
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| Canonical SMILES |
Cc1cc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2Cl)ccc1N1Cc2c(C1=O)c(OCC(F)(F)F)c1cccnc1c2OCC(F)(F)F
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| InChI |
InChI=1S/C33H27ClF6N4O6S/c1-18-13-19(14-31(10-11-31)42-30(46)43-51(47,48)24-7-3-2-6-22(24)34)8-9-23(18)44-15-21-25(29(44)45)27(49-16-32(35,36)37)20-5-4-12-41-26(20)28(21)50-17-33(38,39)40/h2-9,12-13H,10-11,14-17H2,1H3,(H2,42,43,46)
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| InChIKey |
LKOISZAXLYFGBX-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