General Information of the Compound
| Compound ID |
CP0492522
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| Compound Name |
US8637501, 5
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| Structure |
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| Formula |
C25H23F3N4O2
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| Molecular Weight |
468.479
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(OCc2ccc(nc2)C(F)(F)F)cc1=O
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| InChI |
InChI=1S/C25H23F3N4O2/c1-31-21-7-10-29-9-6-20(21)19-4-3-17(12-22(19)31)32-11-8-18(13-24(32)33)34-15-16-2-5-23(30-14-16)25(26,27)28/h2-5,8,11-14,29H,6-7,9-10,15H2,1H3
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| InChIKey |
MVCQNCVFPVNHNK-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