General Information of the Compound
| Compound ID |
CP0260685
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(dichloromethyl)-4-(ethylthio)-6-phenyl-1,3,5-triazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H11Cl2N3S
|
||||||||||||||||||
| Molecular Weight |
300.214
|
||||||||||||||||||
| Canonical SMILES |
CCSc1nc(nc(n1)-c1ccccc1)C(Cl)Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H11Cl2N3S/c1-2-18-12-16-10(8-6-4-3-5-7-8)15-11(17-12)9(13)14/h3-7,9H,2H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHWSJFLFFIEREG-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