General Information of the Compound
| Compound ID |
CP0509070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-(2-oxo-2-piperazin-1-ylethyl)indole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N6O3
|
||||||||||||||||||
| Molecular Weight |
526.641
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCNCC3)c3ccc(C)cc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N6O3/c1-4-5-28(37)25-17-32-36(21(25)3)23-9-7-22(8-10-23)33-30(39)26-18-35(27-11-6-20(2)16-24(26)27)19-29(38)34-14-12-31-13-15-34/h6-11,16-18,31H,4-5,12-15,19H2,1-3H3,(H,33,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJOHCDHMBFDXRZ-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