General Information of the Compound
| Compound ID |
CP0138481
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10550091, No. LC-5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O3S
|
||||||||||||||||||
| Molecular Weight |
399.516
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C)cc1-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O3S/c1-14-7-12-19(27-6)18(13-14)24-15(2)20(22-23-24)28(25,26)17-10-8-16(9-11-17)21(3,4)5/h7-13H,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQAAHNAFJONDOV-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