General Information of the Compound
| Compound ID |
CP0495545
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| Compound Name |
US9187424, 105
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| Structure |
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| Formula |
C31H28F6N2O3
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| Molecular Weight |
590.564
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2ccccc2C)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H28F6N2O3/c1-19-8-10-21(11-9-19)25-18-29(31(35,36)37,22-12-14-23(15-13-22)42-17-5-16-30(32,33)34)39-28(41)26(25)38-27(40)24-7-4-3-6-20(24)2/h3-4,6-15H,5,16-18H2,1-2H3,(H,38,40)(H,39,41)/t29-/m0/s1
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| InChIKey |
MDRKZFDCXCGPHT-LJAQVGFWSA-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