General Information of the Compound
| Compound ID |
CP0062068
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Indolinone based compound, 16
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N6O3
|
||||||||||||||||||
| Molecular Weight |
416.441
|
||||||||||||||||||
| Canonical SMILES |
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2cccnc2)c[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N6O3/c1-12(19-16-8-15(27-22(23)31)4-5-17(16)28-21(19)30)18-7-13(9-25-18)10-26-20(29)14-3-2-6-24-11-14/h2-9,11,25H,10H2,1H3,(H,26,29)(H,28,30)(H3,23,27,31)/b19-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTOPCHNZZCMHKE-UNOMPAQXSA-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