General Information of the Compound
| Compound ID |
CP0904369
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| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-3-(4-chlorobenzyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
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| Formula |
C28H27Cl3N2O
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| Molecular Weight |
513.896
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| Canonical SMILES |
NC(=O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C28H27Cl3N2O/c29-19-11-9-18(10-12-19)15-28(27(32)34)16-20-13-14-21(17-28)33(20)26(22-5-1-3-7-24(22)30)23-6-2-4-8-25(23)31/h1-12,20-21,26H,13-17H2,(H2,32,34)/t20-,21+,28-
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| InChIKey |
MNIJWJCCHXLKST-XKSFVOKXSA-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