EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID60894028

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID60894028


InChI Key	QXYMNBLAEDQYLV-VBKFSLOCSA-N
Smiles	CC(=CCOC1=CC=C(C=C1)/C=C2/C(=O)N(C(C(=O)N2C)SC)C)C
InChI	InChI=1S/C19H24N2O3S/c1-13(2)10-11-24-15-8-6-14(7-9-15)12-16-17(22)21(4)19(25-5)18(23)20(16)3/h6-10,12,19H,11H2,1-5H3/b16-12-

InChI Key

QXYMNBLAEDQYLV-VBKFSLOCSA-N

Smiles

CC(=CCOC1=CC=C(C=C1)/C=C2/C(=O)N(C(C(=O)N2C)SC)C)C

InChI

InChI=1S/C19H24N2O3S/c1-13(2)10-11-24-15-8-6-14(7-9-15)12-16-17(22)21(4)19(25-5)18(23)20(16)3/h6-10,12,19H,11H2,1-5H3/b16-12-

Property Name	Value
Molecular Formula	C19H24N2O3S
Molecular Weight	360.15
AlogP	2.99
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	49.85
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H24N2O3S

Molecular Weight

360.15

AlogP

2.99

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

5.0

Polar Surface Area

49.85

Heavy Atoms

25.0

Resources	Reference
NORMAN SUSDAT
PubChem	101520130

Resources

Reference

NORMAN SUSDAT

PubChem

101520130

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

FUSAPERAZINE E

Structure

Physicochemical Descriptors

Cross References