EcoDrugPlus


Synonyms	CFG920 Cfg-920 Cfg920 LAE-001 LAE001 Lae001
Status
Molecule Category	Free-form
UNII	UP0K5026VB

Synonyms

CFG920

Cfg-920

Cfg920

LAE-001

LAE001

Lae001

Status

Molecule Category

Free-form

UNII

UP0K5026VB


InChI Key	ZVIFCOOHWGNPHJ-UHFFFAOYSA-N
Smiles	Cc1ccncc1N1CCN(c2ccnc(Cl)c2)C1=O
InChI	InChI=1S/C14H13ClN4O/c1-10-2-4-16-9-12(10)19-7-6-18(14(19)20)11-3-5-17-13(15)8-11/h2-5,8-9H,6-7H2,1H3

InChI Key

ZVIFCOOHWGNPHJ-UHFFFAOYSA-N

Smiles

Cc1ccncc1N1CCN(c2ccnc(Cl)c2)C1=O

InChI

InChI=1S/C14H13ClN4O/c1-10-2-4-16-9-12(10)19-7-6-18(14(19)20)11-3-5-17-13(15)8-11/h2-5,8-9H,6-7H2,1H3

Property Name	Value
Molecular Formula	C14H13ClN4O
Molecular Weight	288.74
AlogP	2.89
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	49.33
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H13ClN4O

Molecular Weight

288.74

AlogP

2.89

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

49.33

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

20.0

Resources	Reference
ChEMBL	CHEMBL4297485
FDA SRS	UP0K5026VB
PubChem	49871869
SureChEMBL	SCHEMBL3780132
ZINC	ZINC000147967931

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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

CFG-920

Structure

Physicochemical Descriptors

Cross References