General Information of the Compound
| Compound ID |
CP0464563
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| Compound Name |
(S)-N-(1-(2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
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| InChI |
InChI=1S/C25H33N3O3/c1-4-24(30)28(19-8-6-5-7-9-19)20-10-12-27(13-11-20)25(31)23(26)16-22-17(2)14-21(29)15-18(22)3/h5-9,14-15,20,23,29H,4,10-13,16,26H2,1-3H3/t23-/m0/s1
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| InChIKey |
FIPCIYDRSVLYIF-QHCPKHFHSA-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