General Information of the Compound
| Compound ID |
CP0400243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-(2-fluoroethyl)piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37FN6O3
|
||||||||||||||||||
| Molecular Weight |
572.685
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCF)CC3)c3ccc(C)cc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37FN6O3/c1-4-5-30(40)27-19-34-39(23(27)3)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-22(2)18-26(28)29)21-31(41)37-16-14-36(13-12-33)15-17-37/h6-11,18-20H,4-5,12-17,21H2,1-3H3,(H,35,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAXIQNCGSCEZBB-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