General Information of the Compound
| Compound ID |
CP0376097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS001123206
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
458.967
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(CS(=O)c2ccccc2Cl)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClN2O4S/c1-29-18-6-4-5-17(15-18)25-11-13-26(14-12-25)23(27)21-10-9-19(30-21)16-31(28)22-8-3-2-7-20(22)24/h2-10,15H,11-14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIWLJFOFUWEMJY-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: PT06124, Paired box protein Pax-8