General Information of the Compound
| Compound ID |
CP0393616
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| Compound Name |
6-(4-((benzylamino)methyl)phenoxy)nicotinamide
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| Synonyms |
6-(4-((benzylamino)methyl)phenoxy)nicotinamide
BDBM50219916
CHEMBL238316
LUBVSQAMVPXMBJ-UHFFFAOYSA-N
SCHEMBL3700197
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| Structure |
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| Formula |
C20H19N3O2
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| Molecular Weight |
333.391
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| Canonical SMILES |
NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1
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| InChI |
InChI=1S/C20H19N3O2/c21-20(24)17-8-11-19(23-14-17)25-18-9-6-16(7-10-18)13-22-12-15-4-2-1-3-5-15/h1-11,14,22H,12-13H2,(H2,21,24)
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| InChIKey |
LUBVSQAMVPXMBJ-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
Clinical Information about the Compound