General Information of the Compound
| Compound ID |
CP0504014
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| Compound Name |
8-(bis(2-chlorophenyl)methyl)-N-ethyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
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| Structure |
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| Formula |
C29H30Cl2N2O
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| Molecular Weight |
493.478
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| Canonical SMILES |
CCNC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1
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| InChI |
InChI=1S/C29H30Cl2N2O/c1-2-32-28(34)29(20-10-4-3-5-11-20)18-21-16-17-22(19-29)33(21)27(23-12-6-8-14-25(23)30)24-13-7-9-15-26(24)31/h3-15,21-22,27H,2,16-19H2,1H3,(H,32,34)
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| InChIKey |
AXCDKMXPAYZRJH-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor