General Information of the Compound
| Compound ID |
CP0485496
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| Compound Name |
US9187429, 13
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| Structure |
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| Formula |
C17H16N2O
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| Molecular Weight |
264.328
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| Canonical SMILES |
COC1CCCc2c1cncc2-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C17H16N2O/c1-20-17-4-2-3-14-15(10-19-11-16(14)17)13-7-5-12(9-18)6-8-13/h5-8,10-11,17H,2-4H2,1H3
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| InChIKey |
JFJANKZLNPGYRM-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial