EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	USE67B01YN
EPA CompTox	DTXSID801043366

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

USE67B01YN

EPA CompTox

DTXSID801043366


InChI Key	CKOLETHYECDWSS-UHFFFAOYSA-N
Smiles	COc1ccc(F)cc1C(C)NC(=O)Cc2ccc(cc2)[S](=O)(=O)Nc3ncc(CC(C)C)cn3
InChI	InChI=1S/C25H29FN4O4S/c1-16(2)11-19-14-27-25(28-15-19)30-35(32,33)21-8-5-18(6-9-21)12-24(31)29-17(3)22-13-20(26)7-10-23(22)34-4/h5-10,13-17H,11-12H2,1-4H3,(H,29,31)(H,27,28,30)

InChI Key

CKOLETHYECDWSS-UHFFFAOYSA-N

Smiles

COc1ccc(F)cc1C(C)NC(=O)Cc2ccc(cc2)[S](=O)(=O)Nc3ncc(CC(C)C)cn3

InChI

InChI=1S/C25H29FN4O4S/c1-16(2)11-19-14-27-25(28-15-19)30-35(32,33)21-8-5-18(6-9-21)12-24(31)29-17(3)22-13-20(26)7-10-23(22)34-4/h5-10,13-17H,11-12H2,1-4H3,(H,29,31)(H,27,28,30)

Property Name	Value
Molecular Formula	C25H29F1N4O4S1
Molecular Weight	500.19
AlogP	4.88
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	113.77
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C25H29F1N4O4S1

Molecular Weight

500.19

AlogP

4.88

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

113.77

Heavy Atoms

35.0

Resources	Reference
CAS NUMBER	35273-88-2
NORMAN SUSDAT
FDA SRS	USE67B01YN

Resources

Reference

CAS NUMBER

35273-88-2

NORMAN SUSDAT

FDA SRS

USE67B01YN

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

GLIFLUMIDE

Structure

Physicochemical Descriptors

Cross References