General Information of the Compound
| Compound ID |
CP0305928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,5-bis(chloranyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H11Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
324.167
|
||||||||||||||||||
| Canonical SMILES |
Clc1cnn(CC(=O)N2CCc3ccccc23)c(=O)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H11Cl2N3O2/c15-10-7-17-19(14(21)13(10)16)8-12(20)18-6-5-9-3-1-2-4-11(9)18/h1-4,7H,5-6,8H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNDJSCUNXBXHJX-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor