General Information of the Compound
| Compound ID |
CP0869891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{4-Methyl-5-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-yl]-thiazol-2-yl}-2-piperidin-4-yl-acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H26N6OS
|
||||||||||||||||||
| Molecular Weight |
458.591
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(NC(=O)CC2CCNCC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N6OS/c1-16-24(33-25(28-16)29-23(32)14-17-9-12-26-13-10-17)18-5-7-20-21(30-31-22(20)15-18)8-6-19-4-2-3-11-27-19/h2-8,11,15,17,26H,9-10,12-14H2,1H3,(H,30,31)(H,28,29,32)/b8-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVSRROOJMZDFQA-SOFGYWHQSA-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: PT00934, High affinity nerve growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2