General Information of the Compound
| Compound ID |
CP0867064
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| Compound Name |
N-(3-fluorobenzyl)-N-{2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo [3.2.1]oct-8-yl]ethyl}-3-methylbutyramide
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| Formula |
C27H35FN2O2
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| Molecular Weight |
438.587
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| Canonical SMILES |
CC(C)CC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1cccc(F)c1
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| InChI |
InChI=1S/C27H35FN2O2/c1-19(2)13-27(32)29(18-20-5-3-7-23(28)14-20)11-12-30-24-9-10-25(30)16-22(15-24)21-6-4-8-26(31)17-21/h3-8,14,17,19,22,24-25,31H,9-13,15-16,18H2,1-2H3/t22-,24+,25-
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| InChIKey |
BYUGCZHLVDYIAI-RHHYMUMYSA-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