General Information of the Compound
| Compound ID |
CP0426661
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[1-(dimethylamino)propan-2-ylamino]-2-oxoethyl]-5-methylindole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38N6O3
|
||||||||||||||||||
| Molecular Weight |
542.684
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)NC(C)CN(C)C)c3ccc(C)cc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38N6O3/c1-7-8-29(38)26-16-32-37(22(26)4)24-12-10-23(11-13-24)34-31(40)27-18-36(28-14-9-20(2)15-25(27)28)19-30(39)33-21(3)17-35(5)6/h9-16,18,21H,7-8,17,19H2,1-6H3,(H,33,39)(H,34,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMLQRYMRGSHDNV-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