General Information of the Compound
| Compound ID |
CP0480330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2113209
Show/Hide
|
||||||||||||||||||
| Formula |
C25H23ClN4O5S
|
||||||||||||||||||
| Molecular Weight |
527.002
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23ClN4O5S/c1-2-15-35-19-11-13-20(14-12-19)36(33,34)30(18-9-7-17(26)8-10-18)16-23(31)28-29-24-21-5-3-4-6-22(21)27-25(24)32/h3-14H,2,15-16H2,1H3,(H,28,31)(H,27,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LEIJPHABCJFILJ-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