General Information of the Compound
| Compound ID |
CP0946802
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| Compound Name |
(rel)-(8-(bis(2-chlorophenyl)methyl)-3-(6-methoxypyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methanamine
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| Formula |
C27H29Cl2N3O
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| Molecular Weight |
482.455
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| Canonical SMILES |
COc1cccc([C@]2(CN)C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1
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| InChI |
InChI=1S/C27H29Cl2N3O/c1-33-25-12-6-11-24(31-25)27(17-30)15-18-13-14-19(16-27)32(18)26(20-7-2-4-9-22(20)28)21-8-3-5-10-23(21)29/h2-12,18-19,26H,13-17,30H2,1H3/t18-,19+,27-
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| InChIKey |
GFGAMAZMDQDNCJ-MZNYFNKISA-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