General Information of the Compound
| Compound ID |
CP0563765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-2-[[2-[5-methyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]acetyl]amino]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
497.96
|
||||||||||||||||||
| Canonical SMILES |
Cc1csc2n(CC(=O)Nc3cc(Cl)ccc3C(O)=O)c(=O)n(CCc3ccccc3)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20ClN3O5S/c1-14-13-34-22-20(14)21(30)27(10-9-15-5-3-2-4-6-15)24(33)28(22)12-19(29)26-18-11-16(25)7-8-17(18)23(31)32/h2-8,11,13H,9-10,12H2,1H3,(H,26,29)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FOMFMMFTWPMTTR-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