General Information of the Compound
| Compound ID |
CP0507009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]-4-propan-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H39N5O5
|
||||||||||||||||||
| Molecular Weight |
633.749
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H39N5O5/c1-6-34(43)39-32-21-28(14-15-30(32)36(45)42-16-18-47-19-17-42)38-33-20-27(22-41(5)37(33)46)29-8-7-9-31(24(29)4)40-35(44)26-12-10-25(11-13-26)23(2)3/h6-15,20-23,38H,1,16-19H2,2-5H3,(H,39,43)(H,40,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UICBKYRUUDDSBV-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