General Information of the Compound
| Compound ID |
CP0864161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)(methyl)amino)methyl)-N-phenylbenzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClN5O
|
||||||||||||||||||
| Molecular Weight |
383.883
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cccc(C(=O)Nc2ccccc2)c1)c1cc(CN)ncn1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N5O.ClH/c1-25(19-11-18(12-21)22-14-23-19)13-15-6-5-7-16(10-15)20(26)24-17-8-3-2-4-9-17;/h2-11,14H,12-13,21H2,1H3,(H,24,26);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONBXPBROBYJOLF-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