General Information of the Compound
Compound ID |
CP0397974
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
4-anilino-1-benzyl-N-[2-(diaminomethylideneamino)ethyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C22H30N6O
|
||||||||||||||||||
Molecular Weight |
394.523
|
||||||||||||||||||
Canonical SMILES |
NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
Show/Hide
|
||||||||||||||||||
InChIKey |
SCPYAGLHLAAYFP-UHFFFAOYSA-N
|
||||||||||||||||||
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
|
||||||||||||||||||
Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
PubChem ID | |||||||||||||||||||
ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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 |
|
---|
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
Protein ID: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2