General Information of the Compound
| Compound ID |
CP0571885
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[(4-chlorophenyl)methyl]-2-(3-chloro-4-propan-2-yloxyanilino)-4-oxopyrimidin-5-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
462.333
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)c(CC(O)=O)cn2Cc2ccc(Cl)cc2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21Cl2N3O4/c1-13(2)31-19-8-7-17(10-18(19)24)25-22-26-21(30)15(9-20(28)29)12-27(22)11-14-3-5-16(23)6-4-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,28,29)(H,25,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQXKACXOKYWDCW-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 | |||||||||||||||||||
| 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