General Information of the Compound
| Compound ID |
CP0430320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
O-(2-phenoxyethyl) N-phenyl-N-[(E)-3-phenylprop-2-enoyl]carbamothioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21NO3S
|
||||||||||||||||||
| Molecular Weight |
403.503
|
||||||||||||||||||
| Canonical SMILES |
O=C(\C=C\c1ccccc1)N(C(=S)OCCOc1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21NO3S/c26-23(17-16-20-10-4-1-5-11-20)25(21-12-6-2-7-13-21)24(29)28-19-18-27-22-14-8-3-9-15-22/h1-17H,18-19H2/b17-16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTBGBZXASWZCDN-WUKNDPDISA-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