EcoDrugPlus


Synonyms	Amplimexon Imexon NSC-313425
Status
Molecule Category	Free-form
UNII	8F63U28T2V
EPA CompTox	DTXSID1046895

Synonyms

Amplimexon

Imexon

NSC-313425

Status

Molecule Category

Free-form

UNII

8F63U28T2V

EPA CompTox

DTXSID1046895


InChI Key	BIXBBIPTYBJTRY-UHFFFAOYSA-N
Smiles	N=C1NC(=O)N2CC12
InChI	InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)

InChI Key

BIXBBIPTYBJTRY-UHFFFAOYSA-N

Smiles

N=C1NC(=O)N2CC12

InChI

InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)

Property Name	Value
Molecular Formula	C4H5N3O
Molecular Weight	111.1
AlogP	-0.63
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	55.96
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H5N3O

Molecular Weight

111.1

AlogP

-0.63

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

55.96

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

8.0

Resources	Reference
ChEMBL	CHEMBL146428
DrugBank	DB05003
FDA SRS	8F63U28T2V
Guide to Pharmacology	8273
PubChem	68791
SureChEMBL	SCHEMBL154584

Resources

Reference

ChEMBL

CHEMBL146428

DrugBank

DB05003

FDA SRS

8F63U28T2V

Guide to Pharmacology

8273

PubChem

68791

SureChEMBL

SCHEMBL154584

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

IMEXON

Structure

Physicochemical Descriptors

Cross References