General Information of the Compound
| Compound ID |
CP0555342
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653100, 80
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
502.08
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCN(CC#N)C(c2c1)C1(CCC1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32ClN3O3S/c1-2-18-34(31,32)29-14-17-33-23-9-4-20-10-15-30(16-13-28)25(24(20)19-23)26(11-3-12-26)21-5-7-22(27)8-6-21/h4-9,19,25,29H,2-3,10-12,14-18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOHOVSNRSUZSFB-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