General Information of the Compound
| Compound ID |
CP0905333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N1-(3-(4-Methylpiperazin-1-yl)phenyl)-N3-(3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)malonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N7O2
|
||||||||||||||||||
| Molecular Weight |
495.587
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(c2cccc(NC(=O)CC(=O)Nc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N7O2/c1-34-13-15-35(16-14-34)23-7-4-6-21(17-23)30-27(36)19-28(37)31-22-8-10-24-25(32-33-26(24)18-22)11-9-20-5-2-3-12-29-20/h2-12,17-18H,13-16,19H2,1H3,(H,30,36)(H,31,37)(H,32,33)/b11-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JENMWDTUFRYRNN-PKNBQFBNSA-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