General Information of the Compound
| Compound ID |
CP0462187
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| Compound Name |
3-cyano-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
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| Structure |
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| Formula |
C21H21N5O
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| Molecular Weight |
359.433
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| Canonical SMILES |
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C21H21N5O/c22-15-16-6-5-7-17(14-16)20(27)24-21-23-18-8-1-2-9-19(18)26(21)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13H2,(H,23,24,27)
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| InChIKey |
UJROZOSIFQXQMZ-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