General Information of the Compound
| Compound ID |
CP0082748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10239843, Example 304
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N4O5S
|
||||||||||||||||||
| Molecular Weight |
418.475
|
||||||||||||||||||
| Canonical SMILES |
CCn1c2ccc(cc2c(=O)n(Cc2cc(C)no2)c1=O)S(=O)(=O)NC1(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N4O5S/c1-4-22-16-6-5-14(29(26,27)21-19(3)7-8-19)10-15(16)17(24)23(18(22)25)11-13-9-12(2)20-28-13/h5-6,9-10,21H,4,7-8,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWUNZTNMRPOPOH-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