General Information of the Compound
| Compound ID |
CP0578177
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| Compound Name |
US9216968, 23
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| Structure |
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| Formula |
C25H21F3N4O3
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| Molecular Weight |
482.462
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(C)cc1
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| InChI |
InChI=1S/C25H21F3N4O3/c1-14-7-9-15(10-8-14)29-24(34)18-11-16(12-20-22(18)32-21(31-20)13-35-2)30-23(33)17-5-3-4-6-19(17)25(26,27)28/h3-12H,13H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)
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| InChIKey |
SAVCFGHLVRCOGW-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