General Information of the Compound
| Compound ID |
CP0397404
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| Compound Name |
4-[imidazol-1-yl-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)methyl]benzonitrile
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| Structure |
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| Formula |
C22H18N4O
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| Molecular Weight |
354.413
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| Canonical SMILES |
O=C1CCc2cc(cc3CCN1c23)C(c1ccc(cc1)C#N)n1ccnc1
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| InChI |
InChI=1S/C22H18N4O/c23-13-15-1-3-16(4-2-15)21(25-10-8-24-14-25)19-11-17-5-6-20(27)26-9-7-18(12-19)22(17)26/h1-4,8,10-12,14,21H,5-7,9H2
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| InChIKey |
DVQQMXGIBXDSQD-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