General Information of the Compound
| Compound ID |
CP0069510
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| Compound Name |
CAS_442-52-4
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| Synonyms |
1-(4-Chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzo[d]imidazole
1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole
1-(p-Chlorobenzyl)-2-pyrrolidylmethylenebenzimidazole
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
1H-Benzimidazole, 1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)-
442-52-4
CHEBI:52140
CJXAEXPPLWQRFR-UHFFFAOYSA-N
Clemizol
Clemizole
Clemizolum
Depocural
Histacur
Histakool
Lergopenin
NSC 46261
T97CB3796L
UNII-T97CB3796L
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| Structure |
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| Formula |
C19H20ClN3
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| Molecular Weight |
325.843
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| Canonical SMILES |
Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1
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| InChI |
InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
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| InChIKey |
CJXAEXPPLWQRFR-UHFFFAOYSA-N
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| CAS |
6001-63-4
442-52-4
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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: PT06109, Geminin
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Clinical Information about the Compound