General Information of the Compound
| Compound ID |
CP0911792
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((N-(2-(Dimethylamino)ethyl)cyclopropanecarboxamido)methyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H35N7O2
|
||||||||||||||||||
| Molecular Weight |
549.679
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(CN(CCN(C)C)C(=O)C3CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H35N7O2/c1-22-6-13-27(19-29(22)37-32-34-16-14-28(36-32)26-5-4-15-33-20-26)35-30(40)24-9-7-23(8-10-24)21-39(18-17-38(2)3)31(41)25-11-12-25/h4-10,13-16,19-20,25H,11-12,17-18,21H2,1-3H3,(H,35,40)(H,34,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CBAJVTIYMHUDMY-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
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00864, Vascular endothelial growth factor receptor 2