General Information of the Compound
| Compound ID |
CP0430489
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-2-cyano-N-(2,5-dimethylphenyl)-3-[1-[2-(2-furanylmethylamino)-2-oxoethyl]-3-indolyl]-2-propenamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24N4O3
|
||||||||||||||||||
| Molecular Weight |
452.514
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C)c(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N4O3/c1-18-9-10-19(2)24(12-18)30-27(33)20(14-28)13-21-16-31(25-8-4-3-7-23(21)25)17-26(32)29-15-22-6-5-11-34-22/h3-13,16H,15,17H2,1-2H3,(H,29,32)(H,30,33)/b20-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGBVGMMLMUIRFC-DEDYPNTBSA-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: PT06109, Geminin
Protein ID: PT06033, Microphthalmia-associated transcription factor