General Information of the Compound
| Compound ID |
CP0536844
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| Compound Name |
US9187424, 137
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| Structure |
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| Formula |
C30H23F9N2O4
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| Molecular Weight |
646.506
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nc2ccccc2OC(F)(F)F)C(=O)NC(C1)(c1ccc(OCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H23F9N2O4/c1-17-6-8-18(9-7-17)21-16-27(29(34,35)36,19-10-12-20(13-11-19)44-15-14-28(31,32)33)41-26(43)24(21)25(42)40-22-4-2-3-5-23(22)45-30(37,38)39/h2-13H,14-16H2,1H3,(H,40,42)(H,41,43)
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| InChIKey |
JMVRSXWDVBSOCD-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