General Information of the Compound
| Compound ID |
CP0523682
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| Compound Name |
6-[imidazol-1-yl-(4-methoxyphenyl)methyl]-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 |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
COc1ccc(cc1)C(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
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| InChI |
InChI=1S/C22H21N3O2/c1-27-19-5-2-15(3-6-19)21(24-11-9-23-14-24)18-12-16-4-7-20(26)25-10-8-17(13-18)22(16)25/h2-3,5-6,9,11-14,21H,4,7-8,10H2,1H3
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| InChIKey |
DUGRTHFSQYWGTH-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