General Information of the Compound
| Compound ID |
CP0867901
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| Compound Name |
endo-8-(bis(2-chlorophenyl)methyl)-3-(6-bromopyridin-3-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
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| Formula |
C26H24BrCl2N3O
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| Molecular Weight |
545.308
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| Canonical SMILES |
NC(=O)[C@]1(c2ccc(Br)nc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C26H24BrCl2N3O/c27-23-12-9-16(15-31-23)26(25(30)33)13-17-10-11-18(14-26)32(17)24(19-5-1-3-7-21(19)28)20-6-2-4-8-22(20)29/h1-9,12,15,17-18,24H,10-11,13-14H2,(H2,30,33)/t17-,18+,26-
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| InChIKey |
FYVJVUUDRBJPQT-JSCPRHNGSA-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