General Information of the Compound
| Compound ID |
CP0397753
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| Compound Name |
4-methylsulfonyl-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C19H23N5O3S
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| Molecular Weight |
401.492
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| Canonical SMILES |
CS(=O)(=O)c1c[nH]c(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C19H23N5O3S/c1-28(26,27)14-12-16(20-13-14)18(25)22-19-21-15-6-2-3-7-17(15)24(19)11-10-23-8-4-5-9-23/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,21,22,25)
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| InChIKey |
RYHVNQRCDTWLKR-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