General Information of the Compound
| Compound ID |
CP0879970
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| Compound Name |
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(5-bromopyridin-2-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
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| Formula |
C28H28BrCl2N3O
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| Molecular Weight |
573.362
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| Canonical SMILES |
CC(=O)NC[C@@]1(c2ccc(Br)cn2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C28H28BrCl2N3O/c1-18(35)33-17-28(26-13-10-19(29)16-32-26)14-20-11-12-21(15-28)34(20)27(22-6-2-4-8-24(22)30)23-7-3-5-9-25(23)31/h2-10,13,16,20-21,27H,11-12,14-15,17H2,1H3,(H,33,35)/t20-,21+,28-
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| InChIKey |
YKJDDXCOBJZEKH-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