General Information of the Compound
| Compound ID |
CP0556936
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| Compound Name |
US9216968, 31
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| Structure |
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| Formula |
C26H23F3N4O3
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| Molecular Weight |
496.489
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(C)c(C)c1
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| InChI |
InChI=1S/C26H23F3N4O3/c1-14-8-9-16(10-15(14)2)30-25(35)19-11-17(12-21-23(19)33-22(32-21)13-36-3)31-24(34)18-6-4-5-7-20(18)26(27,28)29/h4-12H,13H2,1-3H3,(H,30,35)(H,31,34)(H,32,33)
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| InChIKey |
HEZQYEXAYXXVDF-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