General Information of the Compound
| Compound ID |
CP0397328
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31FN6O4
|
||||||||||||||||||
| Molecular Weight |
558.614
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)NCc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31FN6O4/c31-24-7-9-25(10-8-24)33-30(39)32-20-21-1-3-22(4-2-21)27-19-28(36-35-27)34-29(38)23-5-11-26(12-6-23)41-18-15-37-13-16-40-17-14-37/h1-12,19H,13-18,20H2,(H2,32,33,39)(H2,34,35,36,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIWNWGTVQWYQGV-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: PT00864, Vascular endothelial growth factor receptor 2