General Information of the Compound
| Compound ID |
CP0878844
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| Compound Name |
(rel)-8-(bis(2-chlorophenyl)methyl)-3-phenyl-3-(pyrrolidin-1-ylmethyl)-8-aza-bicyclo[3.2.1]octane
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| Formula |
C31H34Cl2N2
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| Molecular Weight |
505.533
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| Canonical SMILES |
Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1C[C@](CN1CCCC1)(c1ccccc1)C2
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| InChI |
InChI=1S/C31H34Cl2N2/c32-28-14-6-4-12-26(28)30(27-13-5-7-15-29(27)33)35-24-16-17-25(35)21-31(20-24,22-34-18-8-9-19-34)23-10-2-1-3-11-23/h1-7,10-15,24-25,30H,8-9,16-22H2/t24-,25+,31-
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| InChIKey |
FUUUXOAXWYRZII-GFZZCLOPSA-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