General Information of the Compound
| Compound ID |
CP0869188
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| Compound Name |
(S)-N-cyclohexylmethyl-2-hydroxy-N-{2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]ethyl}-3-phenyl-propionamide
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| Formula |
C31H42N2O3
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| Molecular Weight |
490.688
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| Canonical SMILES |
O=C([C@@H](O)Cc1ccccc1)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C31H42N2O3/c34-29-13-7-12-25(21-29)26-19-27-14-15-28(20-26)33(27)17-16-32(22-24-10-5-2-6-11-24)31(36)30(35)18-23-8-3-1-4-9-23/h1,3-4,7-9,12-13,21,24,26-28,30,34-35H,2,5-6,10-11,14-20,22H2/t26-,27+,28-,30-/m0/s1
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| InChIKey |
BIRJBNROQLNSKY-TYKILGCBSA-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