General Information of the Compound
| Compound ID |
CP0397751
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| Compound Name |
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C18H21N5O
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| Molecular Weight |
323.4
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| Canonical SMILES |
O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1
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| InChI |
InChI=1S/C18H21N5O/c24-17(15-7-5-9-19-15)21-18-20-14-6-1-2-8-16(14)23(18)13-12-22-10-3-4-11-22/h1-2,5-9,19H,3-4,10-13H2,(H,20,21,24)
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| InChIKey |
BPAQFXCMGHLBBF-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