General Information of the Compound
| Compound ID |
CP0445727
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| Compound Name |
N-[1-[3-(3-bromophenyl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
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| Structure |
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| Formula |
C23H27BrN2O2
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| Molecular Weight |
443.385
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)CCc1cccc(Br)c1)c1ccccc1
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| InChI |
InChI=1S/C23H27BrN2O2/c1-2-22(27)26(20-9-4-3-5-10-20)21-13-15-25(16-14-21)23(28)12-11-18-7-6-8-19(24)17-18/h3-10,17,21H,2,11-16H2,1H3
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| InChIKey |
SQDQMRFDYRZVKK-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