General Information of the Compound
| Compound ID |
CP0396777
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-methylpiperazin-1-yl)-N-[5-[3-(propan-2-ylsulfonylamino)phenyl]-1H-pyrazol-3-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N6O3S
|
||||||||||||||||||
| Molecular Weight |
482.61
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)Nc1cccc(c1)-c1cc(NC(=O)c2ccc(cc2)N2CCN(C)CC2)[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N6O3S/c1-17(2)34(32,33)28-20-6-4-5-19(15-20)22-16-23(27-26-22)25-24(31)18-7-9-21(10-8-18)30-13-11-29(3)12-14-30/h4-10,15-17,28H,11-14H2,1-3H3,(H2,25,26,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJESZWYCAZTPRJ-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: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2