General Information of the Compound
| Compound ID |
CP0521676
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| Compound Name |
US9187424, 42
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| Structure |
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| Formula |
C25H25F3N2O
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| Molecular Weight |
426.482
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| Canonical SMILES |
CCCCCc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H25F3N2O/c1-3-4-5-6-18-9-13-20(14-10-18)24(25(26,27)28)15-21(22(16-29)23(31)30-24)19-11-7-17(2)8-12-19/h7-14H,3-6,15H2,1-2H3,(H,30,31)
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| InChIKey |
UAVKYOTVUULMOY-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