General Information of the Compound
| Compound ID |
CP0516761
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| Compound Name |
US8637501, 24
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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 |
Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(nc2)C(F)(F)F)cc1=O
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| InChI |
InChI=1S/C25H23F3N4O2/c1-31-21-3-2-9-29-14-20(21)19-6-5-17(11-22(19)31)32-10-8-18(12-24(32)33)34-15-16-4-7-23(30-13-16)25(26,27)28/h4-8,10-13,29H,2-3,9,14-15H2,1H3
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| InChIKey |
QABGTIAMPMTJOM-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