General Information of the Compound
| Compound ID |
CP0807075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 7-acetoxy-3-(4-acetoxyphenyl)-4-thioxo-3,4-dihydroquinazoline-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N2O6S
|
||||||||||||||||||
| Molecular Weight |
412.423
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cc(OC(C)=O)cc2ncn(-c3ccc(OC(C)=O)cc3)c(=S)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N2O6S/c1-11(23)27-14-6-4-13(5-7-14)22-10-21-17-9-15(28-12(2)24)8-16(20(25)26-3)18(17)19(22)29/h4-10H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RYZYFFCOVMXXBR-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