2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one
(2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
Molecular Identity
2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one
(2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
PubChem CID: 6419844
(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one is a 2-benzylidene-3-(cyclohexylamino)indan-1-one in which the double bond has E configuration. An inhibitor of the dual specificity phosphatase 6 (Dusp6). It has a role as an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor and an apoptosis inducer.
2D Structure
Properties
C22H23NO
Molecular Formula
317.40
Molecular Weight
g/mol
317.1780
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
29.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
470
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4Isomeric SMILES
SMILES: C1CCC(CC1)NC\2C3=CC=CC=C3C(=O)/C2=C/C4=CC=CC=C4Synonyms(20)
(E)-2-Benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1h-inden-1-oneRefChem:909662(2E)-2-Benzylidene-3-(cyclohexylamino)-1-indanone1245792-51-1BCI(2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-oneCHEMBL1241589(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one(E)-BCIMFCD20232928BCI chemicalNSC 150117BCI, 10 mM in DMSOorb1219741
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one
Loading structure...
Drug Network
Trials and conditions connected to 2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one
Loading drug network...