General Information of the Compound
| Compound ID |
CP0137907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methylpiperazin-1-yl)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H27N7OS
|
||||||||||||||||||
| Molecular Weight |
473.606
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC(=O)Nc2nc(C)c(s2)-c2ccc3c(\C=C\c4ccccn4)n[nH]c3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N7OS/c1-17-24(34-25(27-17)28-23(33)16-32-13-11-31(2)12-14-32)18-6-8-20-21(29-30-22(20)15-18)9-7-19-5-3-4-10-26-19/h3-10,15H,11-14,16H2,1-2H3,(H,29,30)(H,27,28,33)/b9-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHLFFSKXUJQLQO-VQHVLOKHSA-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 | |||||||||||||||||||
| 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: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT00936, NT-3 growth factor receptor
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2