General Information of the Compound
| Compound ID |
CP0075515
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| Compound Name |
1-(4-Chlorobenzyl)-1H-imidazole
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| Synonyms |
1-(4-Chlorobenzyl)imidazole
1-(4-chlorobenzyl)-1H-imidazole
1-(p-chlorobenzyl)imidazole
1-[(4-chlorophenyl)methyl]imidazole
1H-Imidazole, 1-[(4-chlorophenyl)methyl]-
42032-27-9
AC1MCUZ8
AKOS002677375
BDBM50188097
CHEMBL441367
CTK6H0128
MCULE-5157261929
MolPort-001-764-407
RPLWYOLCHGTNSX-UHFFFAOYSA-N
SCHEMBL570342
ZINC161401
chlorbenzyl imidazole
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| Structure |
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| Formula |
C10H9ClN2
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| Molecular Weight |
192.649
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| Canonical SMILES |
Clc1ccc(Cn2ccnc2)cc1
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| InChI |
InChI=1S/C10H9ClN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
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| InChIKey |
RPLWYOLCHGTNSX-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
Clinical Information about the Compound