General Information of the Compound
| Compound ID |
CP0435259
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| Compound Name |
3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoyl}propanoic acid
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| Synonyms |
3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoyl}propanoic acid
4-Oxo-4-[N-(1-phenethylpiperidine-4-yl)anilino]butyric acid
4-anilidopiperidine, 8
4-oxo-4-{phenyl[1-(2-phenylethyl)piperidin-4-yl]amino}butanoic acid
BDBM21114
CARBOXYFENTANYL
CHEBI:61106
CHEMBL216239
Epitope ID:153518
SCHEMBL5163413
ZINC14975441
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| Structure |
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| Formula |
C23H28N2O3
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| Molecular Weight |
380.488
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| Canonical SMILES |
OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)
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| InChIKey |
MEVFKTVEGJUHHI-UHFFFAOYSA-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
Clinical Information about the Compound