General Information of the Compound
| Compound ID |
CP0512445
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-phenethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClNO2S
|
||||||||||||||||||
| Molecular Weight |
395.911
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C(=O)N(C(=S)OCCc1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClNO2S/c23-19-13-11-18(12-14-19)21(25)24(20-9-5-2-6-10-20)22(27)26-16-15-17-7-3-1-4-8-17/h1-14H,15-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
POXGVFVVCAMNOP-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