General Information of the Compound
| Compound ID |
CP0569374
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-methyl-5-[(4-phenylbenzoyl)amino]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H26N6O2
|
||||||||||||||||||
| Molecular Weight |
514.589
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H26N6O2/c1-20-10-15-26(35-29(38)23-13-11-22(12-14-23)21-6-3-2-4-7-21)17-28(20)30(39)36-27-18-33-31(34-19-27)37-25-9-5-8-24(32)16-25/h2-19H,32H2,1H3,(H,35,38)(H,36,39)(H,33,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZATZMKDSRSJODQ-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 | |||||||||||||||||||
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: PT01654, Tyrosine-protein kinase Blk
Protein ID: PT01308, Tyrosine-protein kinase BTK