EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C27HY5RFU5

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C27HY5RFU5


InChI Key	JOQKFRLFXDPXHX-UHFFFAOYSA-N
Smiles	CN1C2CCC1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2
InChI	InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3

InChI Key

JOQKFRLFXDPXHX-UHFFFAOYSA-N

Smiles

CN1C2CCC1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2

InChI

InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3

Property Name	Value
Molecular Formula	C22H23N1S1
Molecular Weight	333.16
AlogP	5.35
Hydrogen Bond Acceptor	2.0
Polar Surface Area	3.24
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C22H23N1S1

Molecular Weight

333.16

AlogP

5.35

Hydrogen Bond Acceptor

2.0

Polar Surface Area

3.24

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	27574-24-9
NORMAN SUSDAT
FDA SRS	C27HY5RFU5
PubChem	198068
ChemSpider	65121.0

Resources

Reference

CAS NUMBER

27574-24-9

NORMAN SUSDAT

FDA SRS

C27HY5RFU5

PubChem

198068

ChemSpider

65121.0

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

TROPATEPINE

Structure

Physicochemical Descriptors

Cross References