General Information of the Compound
| Compound ID |
CP0569685
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| Compound Name |
N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide
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| Structure |
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| Formula |
C27H38N4O
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| Molecular Weight |
434.628
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| Canonical SMILES |
CCC(=O)N(CC1(CCN(C)CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C27H38N4O/c1-3-26(32)31(25-12-8-5-9-13-25)23-27(14-16-28(2)17-15-27)30-20-18-29(19-21-30)22-24-10-6-4-7-11-24/h4-13H,3,14-23H2,1-2H3
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| InChIKey |
IBHQWHKVWRYMBH-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: PT01515, Mu-type opioid receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2