General Information of the Compound
| Compound ID |
CP0121156
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| Compound Name |
6-(pyridin-4-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
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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 |
O=C1CCc2cc(Cc3ccncc3)cc3CCN1c23
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| InChI |
InChI=1S/C17H16N2O/c20-16-2-1-14-10-13(9-12-3-6-18-7-4-12)11-15-5-8-19(16)17(14)15/h3-4,6-7,10-11H,1-2,5,8-9H2
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| InChIKey |
TWPPKKSXNRKDOH-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