General Information of the Compound
| Compound ID |
CP0537101
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-4-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19N3O2
|
||||||||||||||||||
| Molecular Weight |
285.347
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2c(cccc2[nH]1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N3O2/c1-11(20)12-4-3-5-14-13(12)10-15(17-14)16(21)19-8-6-18(2)7-9-19/h3-5,10,17H,6-9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLVWZYFFCHHUGS-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