General Information of the Compound
| Compound ID |
CP0445726
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| Compound Name |
N-[1-[3-(3-chloro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
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| Structure |
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| Formula |
C24H29ClN2O3
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| Molecular Weight |
428.96
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)CCc1ccc(OC)c(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C24H29ClN2O3/c1-3-23(28)27(19-7-5-4-6-8-19)20-13-15-26(16-14-20)24(29)12-10-18-9-11-22(30-2)21(25)17-18/h4-9,11,17,20H,3,10,12-16H2,1-2H3
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| InChIKey |
MDMFCHIVVINCMF-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