General Information of the Compound
| Compound ID |
CP0470045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-methyl-3-[(E)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N5OS
|
||||||||||||||||||
| Molecular Weight |
485.657
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)c(C)c34)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N5OS/c1-20-24(29-27(34)18-23-7-4-16-35-23)10-11-26-28(20)25(30-31-26)9-8-21-5-3-6-22(17-21)19-33-14-12-32(2)13-15-33/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,34)(H,30,31)/b9-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCANZEHBHPIJEQ-CMDGGOBGSA-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: PT01223, Aurora kinase B