General Information of the Compound
| Compound ID |
CP0512479
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1829309
Show/Hide
|
||||||||||||||||||
| Formula |
C22H34N4O4S2
|
||||||||||||||||||
| Molecular Weight |
482.672
|
||||||||||||||||||
| Canonical SMILES |
CN(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1c2ccccc2SC(C)(C)CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H34N4O4S2/c1-22(2)13-21(28)26(18-7-5-6-8-19(18)31-22)15-20(27)24-17-11-9-16(10-12-17)14-23-32(29,30)25(3)4/h5-8,16-17,23H,9-15H2,1-4H3,(H,24,27)/t16-,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSFOOWWDFGIYCT-QAQDUYKDSA-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 | |||||||||||||||||||
| 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