General Information of the Compound
| Compound ID |
CP0451986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(morpholin-4-ylmethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N5O4S
|
||||||||||||||||||
| Molecular Weight |
517.611
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cc(n[nH]1)-c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(CN2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N5O4S/c33-27(21-11-9-20(10-12-21)19-32-13-15-36-16-14-32)28-26-18-25(29-30-26)22-5-4-6-23(17-22)31-37(34,35)24-7-2-1-3-8-24/h1-12,17-18,31H,13-16,19H2,(H2,28,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTGDNBWLPMBSTB-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