General Information of the Compound
| Compound ID |
CP0346491
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-((4-methylpiperazin-1-yl)methyl)-3-(5-(3-(pyridin-3-yloxy)-prop-1-ynyl)thiophen-3-yl)-1,4-dihydroindeno[1,2-c]pyrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N5OS
|
||||||||||||||||||
| Molecular Weight |
481.625
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3cccnc3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N5OS/c1-32-9-11-33(12-10-32)18-20-6-7-25-21(14-20)16-26-27(30-31-28(25)26)22-15-24(35-19-22)5-3-13-34-23-4-2-8-29-17-23/h2,4,6-8,14-15,17,19H,9-13,16,18H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOVQOPFMQNTHLY-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2