General Information of the Compound
| Compound ID |
CP0873086
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| Compound Name |
N-benzyl-2-ethyl-N-{(R)-2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]-1-methylethyl}butyramide
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| Formula |
C29H40N2O2
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| Molecular Weight |
448.651
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| Canonical SMILES |
CCC(CC)C(=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/C29H40N2O2/c1-4-23(5-2)29(33)30(20-22-10-7-6-8-11-22)21(3)19-31-26-14-15-27(31)17-25(16-26)24-12-9-13-28(32)18-24/h6-13,18,21,23,25-27,32H,4-5,14-17,19-20H2,1-3H3/t21-,25-,26+,27-/m1/s1
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| InChIKey |
AYWDOLIJDWWQBS-ORZNUPDKSA-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