General Information of the Compound
| Compound ID |
CP0914260
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| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(pyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)ethanamine
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| Formula |
C28H31Cl2N3
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| Molecular Weight |
480.483
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| Canonical SMILES |
CCNC[C@@]1(c2ccccn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C28H31Cl2N3/c1-2-31-19-28(26-13-7-8-16-32-26)17-20-14-15-21(18-28)33(20)27(22-9-3-5-11-24(22)29)23-10-4-6-12-25(23)30/h3-13,16,20-21,27,31H,2,14-15,17-19H2,1H3/t20-,21+,28-
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| InChIKey |
MMQKLOZOSNBOMG-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