General Information of the Compound
| Compound ID |
CP0881746
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| Compound Name |
US9187424, 238
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| Structure |
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| Formula |
C25H24F6N6O2
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| Molecular Weight |
554.495
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| Canonical SMILES |
CN(C)c1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C25H24F6N6O2/c1-37(2)17-8-4-15(5-9-17)19-14-23(25(29,30)31,32-22(38)20(19)21-33-35-36-34-21)16-6-10-18(11-7-16)39-13-3-12-24(26,27)28/h4-11H,3,12-14H2,1-2H3,(H,32,38)(H,33,34,35,36)
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| InChIKey |
NNQVISFSSQMKJX-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