General Information of the Compound
| Compound ID |
CP0106490
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| Compound Name |
N,N-diethyl-4-[phenyl(piperazin-1-yl)methyl]benzamide
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| Structure |
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| Formula |
C22H29N3O
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| Molecular Weight |
351.494
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)20-12-10-19(11-13-20)21(18-8-6-5-7-9-18)25-16-14-23-15-17-25/h5-13,21,23H,3-4,14-17H2,1-2H3
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| InChIKey |
SGSNUYVZXCAQRH-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor