General Information of the Compound
| Compound ID |
CP0065169
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| Compound Name |
US9187429, 9
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| Structure |
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| Formula |
C20H21N3O
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| Molecular Weight |
319.408
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| Canonical SMILES |
CC(C)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H21N3O/c1-13(2)20(24)23-19-5-3-4-16-17(11-22-12-18(16)19)15-8-6-14(10-21)7-9-15/h6-9,11-13,19H,3-5H2,1-2H3,(H,23,24)
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| InChIKey |
MOUHKVCNIZIARN-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