General Information of the Compound
| Compound ID |
CP0390085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
S-[2-(2-chloroanilino)-2-oxoethyl] 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbothioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15Cl3N2O2S
|
||||||||||||||||||
| Molecular Weight |
429.756
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(Cl)c2N(CCCc2c1)C(=O)SCC(=O)Nc1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15Cl3N2O2S/c19-12-8-11-4-3-7-23(17(11)14(21)9-12)18(25)26-10-16(24)22-15-6-2-1-5-13(15)20/h1-2,5-6,8-9H,3-4,7,10H2,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTUKAXBBRWLMRL-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