General Information of the Compound
| Compound ID |
CP0515189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[4-anilino-1-[(4-bromophenyl)methyl]piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29BrN6O
|
||||||||||||||||||
| Molecular Weight |
473.419
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NCC(=O)NCC1(CCN(Cc2ccc(Br)cc2)CC1)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29BrN6O/c23-18-8-6-17(7-9-18)15-29-12-10-22(11-13-29,28-19-4-2-1-3-5-19)16-27-20(30)14-26-21(24)25/h1-9,28H,10-16H2,(H,27,30)(H4,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYTUZIWLELWSHU-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: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2