General Information of the Compound
| Compound ID |
CP0429396
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| Compound Name |
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1,3-benzothiazole-2-carboxamide
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| Structure |
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| Formula |
C21H21N5OS
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| Molecular Weight |
391.5
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| Canonical SMILES |
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1nc2ccccc2s1
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| InChI |
InChI=1S/C21H21N5OS/c27-19(20-22-16-8-2-4-10-18(16)28-20)24-21-23-15-7-1-3-9-17(15)26(21)14-13-25-11-5-6-12-25/h1-4,7-10H,5-6,11-14H2,(H,23,24,27)
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| InChIKey |
UBNJLTYQDKLAMB-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