General Information of the Compound
| Compound ID |
CP0556588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38N6O3
|
||||||||||||||||||
| Molecular Weight |
554.695
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)NC3CCN(C)CC3)c3ccc(C)cc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38N6O3/c1-5-6-30(39)27-18-33-38(22(27)3)25-10-8-23(9-11-25)35-32(41)28-19-37(29-12-7-21(2)17-26(28)29)20-31(40)34-24-13-15-36(4)16-14-24/h7-12,17-19,24H,5-6,13-16,20H2,1-4H3,(H,34,40)(H,35,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNPMHIJZHNZZMT-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