General Information of the Compound
| Compound ID |
CP0701301
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N1-isopropyl-N2-(7-methoxybenzo[d][1,3]dioxol-5-yl)-N2-(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N6O3
|
||||||||||||||||||
| Molecular Weight |
460.538
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc2c1OCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N6O3/c1-16(2)26-7-8-31(19-10-23(32-4)25-24(11-19)33-15-34-25)18-5-6-20-21(9-18)29-22(13-27-20)17-12-28-30(3)14-17/h5-6,9-14,16,26H,7-8,15H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZTONRVOLAYTPJ-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: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2