General Information of the Compound
| Compound ID |
CP0437198
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| Compound Name |
1-(bis(2-chlorophenyl)methyl)-4-(2-((4-(ethylsulfonyl)piperazin-1-yl)methyl)phenyl)piperidin-4-ol
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| Structure |
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| Formula |
C31H37Cl2N3O3S
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| Molecular Weight |
602.628
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| Canonical SMILES |
CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
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| InChI |
InChI=1S/C31H37Cl2N3O3S/c1-2-40(38,39)36-21-19-34(20-22-36)23-24-9-3-6-12-27(24)31(37)15-17-35(18-16-31)30(25-10-4-7-13-28(25)32)26-11-5-8-14-29(26)33/h3-14,30,37H,2,15-23H2,1H3
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| InChIKey |
RGOFVQWZORFHTD-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