General Information of the Compound
| Compound ID |
CP0851218
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| Compound Name |
(S)-2-hydroxy-4-methyl-pentanoic acid cyclohexylmethyl-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}amide
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| Formula |
C28H44N2O3
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| Molecular Weight |
456.671
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| Canonical SMILES |
CC(C)C[C@H](O)C(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C28H44N2O3/c1-20(2)15-27(32)28(33)29(19-21-7-4-3-5-8-21)13-14-30-24-11-12-25(30)17-23(16-24)22-9-6-10-26(31)18-22/h6,9-10,18,20-21,23-25,27,31-32H,3-5,7-8,11-17,19H2,1-2H3/t23-,24+,25-,27-/m0/s1
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| InChIKey |
OHMKATQKHCVVAN-SFIUMABJSA-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