General Information of the Compound
| Compound ID |
CP0402890
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| Compound Name |
US9187424, 88
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| Structure |
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| Formula |
C29H24F6N2O4
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| Molecular Weight |
578.509
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| Canonical SMILES |
COc1ccc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C29H24F6N2O4/c1-17-3-5-18(6-4-17)23-15-27(29(33,34)35,19-7-11-22(12-8-19)41-16-28(30,31)32)37-26(39)24(23)25(38)36-20-9-13-21(40-2)14-10-20/h3-14H,15-16H2,1-2H3,(H,36,38)(H,37,39)
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| InChIKey |
RMWSCPVEAYPYEH-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