EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QI0U3D4X3M

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QI0U3D4X3M


InChI Key	UEIKOVSHPFMKAA-UHFFFAOYSA-N
Smiles	CC(C)N1CCN(CC1)C(=O)N2c3ccccc3Sc4ccccc24
InChI	InChI=1S/C20H23N3OS/c1-15(2)21-11-13-22(14-12-21)20(24)23-16-7-3-5-9-18(16)25-19-10-6-4-8-17(19)23/h3-10,15H,11-14H2,1-2H3

InChI Key

UEIKOVSHPFMKAA-UHFFFAOYSA-N

Smiles

CC(C)N1CCN(CC1)C(=O)N2c3ccccc3Sc4ccccc24

InChI

InChI=1S/C20H23N3OS/c1-15(2)21-11-13-22(14-12-21)20(24)23-16-7-3-5-9-18(16)25-19-10-6-4-8-17(19)23/h3-10,15H,11-14H2,1-2H3

Property Name	Value
Molecular Formula	C20H23N3O1S1
Molecular Weight	353.16
AlogP	4.44
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	26.79
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C20H23N3O1S1

Molecular Weight

353.16

AlogP

4.44

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

26.79

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	23492-69-5
NORMAN SUSDAT
FDA SRS	QI0U3D4X3M

Resources

Reference

CAS NUMBER

23492-69-5

NORMAN SUSDAT

FDA SRS

QI0U3D4X3M

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

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