General Information of the Compound
| Compound ID |
CP0863596
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| Compound Name |
N-benzyl-2-ethyl-N-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}butyramide
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| Formula |
C28H38N2O2
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| Molecular Weight |
434.624
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| Canonical SMILES |
CCC(CC)C(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1ccccc1
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| InChI |
InChI=1S/C28H38N2O2/c1-3-22(4-2)28(32)29(20-21-9-6-5-7-10-21)15-16-30-25-13-14-26(30)18-24(17-25)23-11-8-12-27(31)19-23/h5-12,19,22,24-26,31H,3-4,13-18,20H2,1-2H3/t24-,25+,26-
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| InChIKey |
FJXWTJUNKCQCBH-OOSCYNTBSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor