General Information of the Compound
| Compound ID |
CP0859605
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| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(4-methoxyphenyl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
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| Formula |
C30H32Cl2N2O2
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| Molecular Weight |
523.504
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| Canonical SMILES |
COc1ccc([C@]2(CNC(C)=O)C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C30H32Cl2N2O2/c1-20(35)33-19-30(21-11-15-24(36-2)16-12-21)17-22-13-14-23(18-30)34(22)29(25-7-3-5-9-27(25)31)26-8-4-6-10-28(26)32/h3-12,15-16,22-23,29H,13-14,17-19H2,1-2H3,(H,33,35)/t22-,23+,30-
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| InChIKey |
WDMPXDREEFNEFP-SZUMIOBZSA-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