General Information of the Compound
| Compound ID |
CP0869823
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| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(5-methoxypyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
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| Formula |
C29H31Cl2N3O2
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| Molecular Weight |
524.492
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| Canonical SMILES |
COc1ccc([C@]2(CNC(C)=O)C[C@H]3CC[C@@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1
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| InChI |
InChI=1S/C29H31Cl2N3O2/c1-19(35)33-18-29(27-14-13-22(36-2)17-32-27)15-20-11-12-21(16-29)34(20)28(23-7-3-5-9-25(23)30)24-8-4-6-10-26(24)31/h3-10,13-14,17,20-21,28H,11-12,15-16,18H2,1-2H3,(H,33,35)/t20-,21+,29-
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| InChIKey |
KIOAVAPANAYKHZ-VPIZKCOQSA-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