General Information of the Compound
| Compound ID |
CP0960319
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-(((6-(Aminomethyl)pyrimidin-4-yl)amino)methyl)benzamido)benzoic acid hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20ClN5O3
|
||||||||||||||||||
| Molecular Weight |
413.865
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(NCc2cccc(C(=O)Nc3ccc(C(=O)O)cc3)c2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N5O3.ClH/c21-10-17-9-18(24-12-23-17)22-11-13-2-1-3-15(8-13)19(26)25-16-6-4-14(5-7-16)20(27)28;/h1-9,12H,10-11,21H2,(H,25,26)(H,27,28)(H,22,23,24);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXIVHOITXGTMIY-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