General Information of the Compound
| Compound ID |
CP0961767
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)amino)methyl)-N-phenylbenzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20ClN5O
|
||||||||||||||||||
| Molecular Weight |
369.856
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(NCc2cccc(C(=O)Nc3ccccc3)c2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N5O.ClH/c20-11-17-10-18(23-13-22-17)21-12-14-5-4-6-15(9-14)19(25)24-16-7-2-1-3-8-16;/h1-10,13H,11-12,20H2,(H,24,25)(H,21,22,23);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKRBOGKKNBIOCH-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