General Information of the Compound
| Compound ID |
CP0426066
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| Compound Name |
6-(1-imidazol-1-ylpropyl)-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 |
C17H19N3O
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| Molecular Weight |
281.359
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| Canonical SMILES |
CCC(c1cc2CCN3c2c(CCC3=O)c1)n1ccnc1
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| InChI |
InChI=1S/C17H19N3O/c1-2-15(19-8-6-18-11-19)14-9-12-3-4-16(21)20-7-5-13(10-14)17(12)20/h6,8-11,15H,2-5,7H2,1H3
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| InChIKey |
JBKXXMSSWRLLLV-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