General Information of the Compound
Compound ID |
CP0905626
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Compound Name |
N-benzyl-N-{(R)-2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]-1-methylethyl}acetamide
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Formula |
C25H32N2O2
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Molecular Weight |
392.543
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Canonical SMILES |
CC(=O)N(Cc1ccccc1)[C@H](C)CN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2
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InChI |
InChI=1S/C25H32N2O2/c1-18(26(19(2)28)17-20-7-4-3-5-8-20)16-27-23-11-12-24(27)14-22(13-23)21-9-6-10-25(29)15-21/h3-10,15,18,22-24,29H,11-14,16-17H2,1-2H3/t18-,22-,23+,24-/m1/s1
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InChIKey |
ZZHFMYNSZIEWOO-LZQXYRQZSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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