General Information of the Compound
| Compound ID |
CP0917967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2'-[{8-[(2-{4-[(2,4-dDioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}-ethyl)(methyl)amino]-8-oxooctane-1,3-diyl}bis(thio)]bis(2-oxoethanaminium) dichloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H38Cl2N4O6S3
|
||||||||||||||||||
| Molecular Weight |
657.708
|
||||||||||||||||||
| Canonical SMILES |
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)C(=O)CCCCC(CCSC(=O)CN)SC(=O)CN.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H36N4O6S3.2ClH/c1-29(11-12-35-18-8-6-17(7-9-18)14-20-24(33)28-25(34)38-20)21(30)5-3-2-4-19(37-23(32)16-27)10-13-36-22(31)15-26;;/h6-9,19-20H,2-5,10-16,26-27H2,1H3,(H,28,33,34);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGBRXFMUWOBIEF-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