General Information of the Compound
| Compound ID |
CP0567153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[3-(prop-2-enoylamino)anilino]pyridin-3-yl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H34N4O3
|
||||||||||||||||||
| Molecular Weight |
534.66
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2cccc(NC(=O)C=C)c2)c(=O)n(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H34N4O3/c1-7-30(38)35-26-11-8-10-25(19-26)34-29-18-23(20-37(6)32(29)40)27-12-9-13-28(21(27)2)36-31(39)22-14-16-24(17-15-22)33(3,4)5/h7-20,34H,1H2,2-6H3,(H,35,38)(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNAAWUZZJSZLRN-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