General Information of the Compound
| Compound ID |
CP0418704
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| Compound Name |
4-chloranyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
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| Structure |
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| Formula |
C20H21ClN4O
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| Molecular Weight |
368.868
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C20H21ClN4O/c21-16-9-7-15(8-10-16)19(26)23-20-22-17-5-1-2-6-18(17)25(20)14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,22,23,26)
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| InChIKey |
GGBKVCLOHXJYCD-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: PT01200, Delta-type opioid receptor
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor