General Information of the Compound
| Compound ID |
CP0487637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(6-methyl-2-phenylpyrimidin-4-yl)amino]isoindole-1,3-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C19H14N4O2
|
||||||||||||||||||
| Molecular Weight |
330.347
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Nc2ccc3C(=O)NC(=O)c3c2)nc(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14N4O2/c1-11-9-16(22-17(20-11)12-5-3-2-4-6-12)21-13-7-8-14-15(10-13)19(25)23-18(14)24/h2-10H,1H3,(H,20,21,22)(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJCWAKLWTQQVRL-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1