General Information of the Compound
| Compound ID |
CP0434183
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| Compound Name |
(S)-N-(1-(2-amino-3-(4-hydroxyphenyl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
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| Structure |
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| Formula |
C23H29N3O3
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| Molecular Weight |
395.503
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
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| InChI |
InChI=1S/C23H29N3O3/c1-2-22(28)26(18-6-4-3-5-7-18)19-12-14-25(15-13-19)23(29)21(24)16-17-8-10-20(27)11-9-17/h3-11,19,21,27H,2,12-16,24H2,1H3/t21-/m0/s1
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| InChIKey |
IJUURASWKIGTEL-NRFANRHFSA-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