General Information of the Compound
| Compound ID |
CP0867063
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| Compound Name |
cyclopropanecarboxylic acid(R)-benzyl-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]-1-methylethyl}amide
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| Formula |
C27H34N2O2
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| Molecular Weight |
418.581
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| Canonical SMILES |
C[C@H](CN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)C1CC1
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| InChI |
InChI=1S/C27H34N2O2/c1-19(28(27(31)21-10-11-21)18-20-6-3-2-4-7-20)17-29-24-12-13-25(29)15-23(14-24)22-8-5-9-26(30)16-22/h2-9,16,19,21,23-25,30H,10-15,17-18H2,1H3/t19-,23-,24+,25-/m1/s1
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| InChIKey |
YTTAWOSRYYGVQK-SXPGVMETSA-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