General Information of the Compound
| Compound ID |
CP0430049
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| Compound Name |
N-[[2-[1-[bis(2-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]phenyl]methyl]propane-2-sulfonamide
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| Structure |
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| Formula |
C28H32Cl2N2O3S
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| Molecular Weight |
547.548
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| Canonical SMILES |
CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C28H32Cl2N2O3S/c1-20(2)36(34,35)31-19-21-9-3-6-12-24(21)28(33)15-17-32(18-16-28)27(22-10-4-7-13-25(22)29)23-11-5-8-14-26(23)30/h3-14,20,27,31,33H,15-19H2,1-2H3
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| InChIKey |
WIFHHTCWNIKQKL-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
Protein ID: PT01360, Nociceptin receptor