General Information of the Compound
| Compound ID |
CP0869821
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| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)-N-methylacetamide
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| Formula |
C30H32Cl2N2O
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| Molecular Weight |
507.505
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| Canonical SMILES |
CC(=O)N(C)C[C@@]1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C30H32Cl2N2O/c1-21(35)33(2)20-30(22-10-4-3-5-11-22)18-23-16-17-24(19-30)34(23)29(25-12-6-8-14-27(25)31)26-13-7-9-15-28(26)32/h3-15,23-24,29H,16-20H2,1-2H3/t23-,24+,30-
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| InChIKey |
LSYABWXWGWNAGZ-PYHIPCLTSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor