DMBI   Click here for help

GtoPdb Ligand ID: 5958

Synonyms: 3-(4-dimethylaminobenzylidenyl)-2-indolinone
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 32.34
Molecular weight 264.13
XLogP 3.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1Nc2c(C1=Cc1ccc(cc1)N(C)C)cccc2
Isomeric SMILES O=C1Nc2c(/C/1=C\c1ccc(cc1)N(C)C)cccc2
InChI InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11+
InChI Key UAKWLVYMKBWHMX-RVDMUPIBSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
Synonyms Click here for help
3-(4-dimethylaminobenzylidenyl)-2-indolinone
Database Links Click here for help
CAS Registry No. 5812-07-7
ChEMBL Ligand CHEMBL296455
GtoPdb PubChem SID 178102581
PubChem CID 5353593
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