General Information of the Compound
| Compound ID |
CP0430756
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2012605
Show/Hide
|
||||||||||||||||||
| Formula |
C18H21N3O5S2
|
||||||||||||||||||
| Molecular Weight |
423.516
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N3O5S2/c1-28(25,26)18-21-20-17(27-18)19-16(24)14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(22)23/h6-9,11-12H,2-5,10H2,1H3,(H,22,23)(H,19,20,24)/t11-,12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGXGEMJRMFPPAU-HAQNSBGRSA-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