General Information of the Compound
| Compound ID |
CP0894039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N4-(2,4-dichlorobenzyl)-N2-(4-(diethylamino)pentyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32Cl2N6
|
||||||||||||||||||
| Molecular Weight |
427.424
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1.N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H29Cl2N5.H3N/c1-4-27(5-2)15(3)7-6-11-23-20-24-12-10-19(26-20)25-14-16-8-9-17(21)13-18(16)22;/h8-10,12-13,15H,4-7,11,14H2,1-3H3,(H2,23,24,25,26);1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFRLFSINCZBZEZ-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