EcoDrugPlus


Synonyms	Flucycloxuron
Molecule Category	Free-form
UNII	V8H544MV3H
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Flucycloxuron

Molecule Category

Free-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	PCKNFPQPGUWFHO-UQRQXUALSA-N
Smiles	Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(CO\N=C(/C3CC3)\c4ccc(Cl)cc4)cc2
InChI	InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)/b31-23+

InChI Key

PCKNFPQPGUWFHO-UQRQXUALSA-N

Smiles

Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(CO\N=C(/C3CC3)\c4ccc(Cl)cc4)cc2

InChI

InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)/b31-23+

Property Name	Value
Molecular Formula	C25H20ClF2N3O3
Molecular Weight	483.89
AlogP	5.66
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	79.79
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C25H20ClF2N3O3

Molecular Weight

483.89

AlogP

5.66

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

79.79

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

34.0

Resources	Reference
ChEMBL	CHEMBL226430
FDA SRS	V8H544MV3H
PubChem	6537963
SureChEMBL	SCHEMBL27068

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

FLUCYCLOXURON

Structure

Physicochemical Descriptors

Cross References