General Information of the Compound
| Compound ID |
CP0441725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloranyl-N-[2-[(2-chloranylpyridin-3-yl)carbonylamino]-4-(diethylsulfamoyl)phenyl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21Cl2N5O4S
|
||||||||||||||||||
| Molecular Weight |
522.414
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21Cl2N5O4S/c1-3-29(4-2)34(32,33)14-9-10-17(27-21(30)15-7-5-11-25-19(15)23)18(13-14)28-22(31)16-8-6-12-26-20(16)24/h5-13H,3-4H2,1-2H3,(H,27,30)(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UEQAXXYQPQATDV-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor