General Information of the Compound
| Compound ID |
CP0372417
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| Compound Name |
N-[1-[3-amino-3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
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| Structure |
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| Formula |
C23H28ClN3O2
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| Molecular Weight |
413.949
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)CC(N)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C23H28ClN3O2/c1-2-22(28)27(19-6-4-3-5-7-19)20-12-14-26(15-13-20)23(29)16-21(25)17-8-10-18(24)11-9-17/h3-11,20-21H,2,12-16,25H2,1H3
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| InChIKey |
RTWWFKMLFAMEJB-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
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor