General Information of the Compound
| Compound ID |
CP0200164
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H17N5OS
|
||||||||||||||||||
| Molecular Weight |
303.391
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(cc2)N=C(N)N)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H17N5OS/c1-9(20)17-14-19-12(8-21-14)7-4-10-2-5-11(6-3-10)18-13(15)16/h2-3,5-6,8H,4,7H2,1H3,(H4,15,16,18)(H,17,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMDXCMJWFMSUAI-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: PT01362, Amine oxidase [flavin-containing] B
Protein ID: PT02547, D-amino-acid oxidase
Protein ID: PT03817, Membrane primary amine oxidase
Protein ID: PT02562, Membrane primary amine oxidase