General Information of the Compound
| Compound ID |
CP0388643
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| Compound Name |
3,4-dichloro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
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| Structure |
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| Formula |
C20H20Cl2N4O
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| Molecular Weight |
403.313
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C20H20Cl2N4O/c21-15-8-7-14(13-16(15)22)19(27)24-20-23-17-5-1-2-6-18(17)26(20)12-11-25-9-3-4-10-25/h1-2,5-8,13H,3-4,9-12H2,(H,23,24,27)
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| InChIKey |
GMCVIBDVLCHMNN-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor