General Information of the Compound
| Compound ID |
CP0519627
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| Compound Name |
US9187424, 83
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| Structure |
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| Formula |
C31H25F9N2O4
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| Molecular Weight |
660.533
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H25F9N2O4/c1-18-3-5-19(6-4-18)24-17-28(30(35,36)37,20-7-11-22(12-8-20)45-16-2-15-29(32,33)34)42-27(44)25(24)26(43)41-21-9-13-23(14-10-21)46-31(38,39)40/h3-14H,2,15-17H2,1H3,(H,41,43)(H,42,44)
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| InChIKey |
GKAVUAJEZWYTNG-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