EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F83U6T74XR
EPA CompTox	DTXSID00179245

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F83U6T74XR

EPA CompTox

DTXSID00179245


InChI Key	GZKDXUIWCNCNBJ-UHFFFAOYSA-N
Smiles	Cc1onc(c1)C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3
InChI	InChI=1S/C20H26N4O5S/c1-14-13-18(23-29-14)19(25)21-12-11-15-7-9-17(10-8-15)30(27,28)24-20(26)22-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3,(H,21,25)(H2,22,24,26)

InChI Key

GZKDXUIWCNCNBJ-UHFFFAOYSA-N

Smiles

Cc1onc(c1)C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C20H26N4O5S/c1-14-13-18(23-29-14)19(25)21-12-11-15-7-9-17(10-8-15)30(27,28)24-20(26)22-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3,(H,21,25)(H2,22,24,26)

Property Name	Value
Molecular Formula	C20H26N4O5S1
Molecular Weight	434.16
AlogP	2.48
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	133.89
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C20H26N4O5S1

Molecular Weight

434.16

AlogP

2.48

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

133.89

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	24477-37-0
NORMAN SUSDAT
FDA SRS	F83U6T74XR

Resources

Reference

CAS NUMBER

24477-37-0

NORMAN SUSDAT

FDA SRS

F83U6T74XR

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

GLISOLAMIDE

Structure

Physicochemical Descriptors

Cross References