General Information of the Compound
| Compound ID |
CP0866515
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| Compound Name |
US9187424, 285
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| Structure |
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| Formula |
C25H24F3N5O2
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| Molecular Weight |
483.494
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCC4CC4)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C25H24F3N5O2/c1-15-2-6-17(7-3-15)20-14-24(25(26,27)28,29-23(34)21(20)22-30-32-33-31-22)18-8-10-19(11-9-18)35-13-12-16-4-5-16/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,29,34)(H,30,31,32,33)
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| InChIKey |
UUPDAYOBAHCXJB-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