General Information of the Compound
| Compound ID |
CP0340207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2-(4-methylpiperazin-1-yl)ethyl)-3-(5-(3-phenoxyprop-1-ynyl)thiophen-3-yl)-1,4-dihydroindeno[1,2-c]pyrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H30N4OS
|
||||||||||||||||||
| Molecular Weight |
494.664
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30N4OS/c1-33-13-15-34(16-14-33)12-11-22-9-10-27-23(18-22)20-28-29(31-32-30(27)28)24-19-26(36-21-24)8-5-17-35-25-6-3-2-4-7-25/h2-4,6-7,9-10,18-19,21H,11-17,20H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJODRXDUZDKWPQ-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