General Information of the Compound
| Compound ID |
CP0491992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{4-[4-(2-Oxo-2H-chromen-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O2
|
||||||||||||||||||
| Molecular Weight |
426.52
|
||||||||||||||||||
| Canonical SMILES |
O=c1ccc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O2/c27-17-19-4-7-24-23(15-19)21(18-28-24)3-1-2-10-29-11-13-30(14-12-29)22-6-8-25-20(16-22)5-9-26(31)32-25/h4-9,15-16,18,28H,1-3,10-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYRQRDDPHJEJCJ-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