General Information of the Compound
| Compound ID |
CP0559414
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| Compound Name |
US9216968, 81
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| Structure |
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| Formula |
C26H22ClF3N4O3
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| Molecular Weight |
530.934
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| Canonical SMILES |
COCCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C26H22ClF3N4O3/c1-14-19(27)8-5-9-20(14)33-25(36)17-12-15(13-21-23(17)34-22(32-21)10-11-37-2)31-24(35)16-6-3-4-7-18(16)26(28,29)30/h3-9,12-13H,10-11H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
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| InChIKey |
DDJSFSMHKPKURV-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