General Information of the Compound
| Compound ID |
CP0178078
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[2-(2-chloro-6-methylanilino)benzimidazol-1-yl]pyrimidin-4-yl]morpholin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN7O
|
||||||||||||||||||
| Molecular Weight |
435.919
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(NN2CCOCC2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClN7O/c1-15-5-4-6-16(23)21(15)27-22-26-17-7-2-3-8-18(17)30(22)20-13-19(24-14-25-20)28-29-9-11-31-12-10-29/h2-8,13-14H,9-12H2,1H3,(H,26,27)(H,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJMUUEMSIJHHBF-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