General Information of the Compound
| Compound ID |
CP0851035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{4-[2-(4-{[Amino(imino)methyl]amino}phenyl)ethyl]-1,3-thiazol-2-yl}benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20ClN5OS
|
||||||||||||||||||
| Molecular Weight |
401.923
|
||||||||||||||||||
| Canonical SMILES |
Cl.N=C(N)Nc1ccc(CCc2csc(NC(=O)c3ccccc3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N5OS.ClH/c20-18(21)22-15-9-6-13(7-10-15)8-11-16-12-26-19(23-16)24-17(25)14-4-2-1-3-5-14;/h1-7,9-10,12H,8,11H2,(H4,20,21,22)(H,23,24,25);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZKAEOTXLYFIAV-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