General Information of the Compound
| Compound ID |
CP0115070
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| Compound Name |
6-[(3-methoxyphenyl)-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 |
C24H22N2O2
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| Molecular Weight |
370.452
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| Canonical SMILES |
COc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1
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| InChI |
InChI=1S/C24H22N2O2/c1-28-21-4-2-3-17(15-21)23(16-7-10-25-11-8-16)20-13-18-5-6-22(27)26-12-9-19(14-20)24(18)26/h2-4,7-8,10-11,13-15,23H,5-6,9,12H2,1H3
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| InChIKey |
PQMAAJJDEGAAEZ-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