General Information of the Compound
| Compound ID |
CP0477919
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| Compound Name |
US8598155, 53
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| Structure |
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| Formula |
C21H19F4N7O
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| Molecular Weight |
461.423
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| Canonical SMILES |
COc1cc(ccc1-c1c(cnn1C)-c1nc(C)n2ncnc(N3CC(F)C3)c12)C(F)(F)F
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| InChI |
InChI=1S/C21H19F4N7O/c1-11-29-17(19-20(26-10-28-32(11)19)31-8-13(22)9-31)15-7-27-30(2)18(15)14-5-4-12(21(23,24)25)6-16(14)33-3/h4-7,10,13H,8-9H2,1-3H3
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| InChIKey |
UFBFYHOSKPTZDW-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