General Information of the Compound
| Compound ID |
CP0503612
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| Compound Name |
US9216968, 214
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| Structure |
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| Formula |
C24H19F3N4O3
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| Molecular Weight |
468.435
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C24H19F3N4O3/c1-34-13-20-30-19-12-15(29-22(32)16-9-5-6-10-18(16)24(25,26)27)11-17(21(19)31-20)23(33)28-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,28,33)(H,29,32)(H,30,31)
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| InChIKey |
DDTOHNREQNDBRD-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