General Information of the Compound
| Compound ID |
CP0464564
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| Compound Name |
N-[1-[(2S,3R)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)butanoyl]piperidin-4-yl]-N-phenylpropanamide
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| Structure |
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)[C@H](C)c1c(C)cc(O)cc1C)c1ccccc1
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| InChI |
InChI=1S/C26H35N3O3/c1-5-23(31)29(20-9-7-6-8-10-20)21-11-13-28(14-12-21)26(32)25(27)19(4)24-17(2)15-22(30)16-18(24)3/h6-10,15-16,19,21,25,30H,5,11-14,27H2,1-4H3/t19-,25+/m1/s1
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| InChIKey |
PFMOTJNRKNDBQA-CLOONOSVSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor