General Information of the Compound
| Compound ID |
CP0913574
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| Compound Name |
N-cyclohexylmethyl-N-{2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]ethyl}-3-methylbutyramide
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| Formula |
C27H42N2O2
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| Molecular Weight |
426.645
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| Canonical SMILES |
CC(C)CC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C27H42N2O2/c1-20(2)15-27(31)28(19-21-7-4-3-5-8-21)13-14-29-24-11-12-25(29)17-23(16-24)22-9-6-10-26(30)18-22/h6,9-10,18,20-21,23-25,30H,3-5,7-8,11-17,19H2,1-2H3/t23-,24+,25-
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| InChIKey |
NLJWKFDULQLGOC-QEIWAGNOSA-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