General Information of the Compound
| Compound ID |
CP0196826
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloranyl-N-(phenylmethyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
401.875
|
||||||||||||||||||
| Canonical SMILES |
Clc1cnc(nc1C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16ClN3O3S/c20-16-12-22-19(27(25,26)13-15-9-5-2-6-10-15)23-17(16)18(24)21-11-14-7-3-1-4-8-14/h1-10,12H,11,13H2,(H,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWUORVUWOSGFQC-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: PT06172, Mothers against decapentaplegic homolog 3