General Information of the Compound
| Compound ID |
CP0010066
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[3-[4-[1-(5-cyanopentyl)indol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]hexanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31N5O2
|
||||||||||||||||||
| Molecular Weight |
517.633
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QAMBUGZDXYEHNV-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
Protein ID: PT01223, Aurora kinase B
Protein ID: PT03105, Receptor-interacting serine/threonine-protein kinase 3