Details of the Drug

General Information of Drug (ID: DM23E0R)

Drug Name

4-Inden-(1E)-ylidenemethyl-phenylamine

Synonyms

4-(1H-Inden-1-ylidenemethyl)aniline; NSC83092; 4-[(E)-inden-1-ylidenemethyl]aniline; CHEMBL193376; 487-61-6; 1-(4-Aminobenzylidene)indene; p-Toluidine, .alpha.-inden-1-ylidene-; 4-(1H-Inden-1-ylidenemethyl)phenylamine; Benzenamine, 4-(1H-inden-1-ylidenemethyl)-; MLS002694146; WLN: L56 BYJ BU1R DZ; 4-Inden-(1E)-ylidenemethyl-phenylamine; AC1O53IW; AC1Q1HQ2; cid_98148; BDBM50164749; NSC-83092; AKOS030547084; ZINC100425076; NCGC00186285-13; NCGC00186285-07; NCGC00186285-06; NCGC00186285-01; NCGC00186285-11; NCGC00186285-09

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

219.28

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C16H13N
IUPAC Name: 4-[(E)-inden-1-ylidenemethyl]aniline
Canonical SMILES: C1=CC=C\\2C(=C1)C=C/C2=C\\C3=CC=C(C=C3)N
InChI: InChI=1S/C16H13N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,17H2/b14-11+
InChIKey: GISMNWZLKDONAA-SDNWHVSQSA-N