General Information of the Compound
| Compound ID |
CP0537022
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8921370, 15
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
403.935
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncc(s1)C(=O)NC12CCC(C1)(CCC2)NC(=O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClN3O2S/c1-13-22-11-16(27-13)18(26)24-20-7-3-6-19(12-20,8-9-20)23-17(25)14-4-2-5-15(21)10-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,23,25)(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLUGGALXTRCKCA-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