General Information of the Compound
| Compound ID |
CP0699564
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| Compound Name |
5-[7-Chloro-3,4-dihydro-2H-naphthalen-(1E)-ylidenemethyl]-1H-imidazole
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| Structure |
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| Formula |
C14H13ClN2
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| Molecular Weight |
244.725
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| Canonical SMILES |
Clc1ccc2c(c1)/C(=C/c1c[nH]cn1)CCC2
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| InChI |
InChI=1S/C14H13ClN2/c15-12-5-4-10-2-1-3-11(14(10)7-12)6-13-8-16-9-17-13/h4-9H,1-3H2,(H,16,17)/b11-6+
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| InChIKey |
IXZHKLPXEBEKJV-IZZDOVSWSA-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