General Information of the Compound
| Compound ID |
CP0556514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653100, 60
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
465.059
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCNC(C(C(C)C)c3ccc(Cl)cc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33ClN2O3S/c1-4-15-31(28,29)27-13-14-30-21-10-7-18-11-12-26-24(22(18)16-21)23(17(2)3)19-5-8-20(25)9-6-19/h5-10,16-17,23-24,26-27H,4,11-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRWFSKPQRDLAIG-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