General Information of the Compound
| Compound ID |
CP0695737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID24841212
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H10Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
353.165
|
||||||||||||||||||
| Canonical SMILES |
O=C1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H10Cl2N4O3/c15-8-5-17-20(14(23)13(8)16)7-12(22)19-6-11(21)18-9-3-1-2-4-10(9)19/h1-5H,6-7H2,(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PAUWOUMBKJXDPQ-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: PT06124, Paired box protein Pax-8