EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R7U3MEU7VR
EPA CompTox	DTXSID7037478

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R7U3MEU7VR

EPA CompTox

DTXSID7037478


InChI Key	DQJCHOQLCLEDLL-UHFFFAOYSA-N
Smiles	Cc1cccc2sc3nncn3c12
InChI	InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3

InChI Key

DQJCHOQLCLEDLL-UHFFFAOYSA-N

Smiles

Cc1cccc2sc3nncn3c12

InChI

InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3

Property Name	Value
Molecular Formula	C9H7N3S1
Molecular Weight	189.04
AlogP	2.25
Hydrogen Bond Acceptor	4.0
Polar Surface Area	30.19
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H7N3S1

Molecular Weight

189.04

AlogP

2.25

Hydrogen Bond Acceptor

4.0

Polar Surface Area

30.19

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	41814-78-2
NORMAN SUSDAT
FDA SRS	R7U3MEU7VR
PubChem	39040
ChemSpider	35726.0

Resources

Reference

CAS NUMBER

41814-78-2

NORMAN SUSDAT

FDA SRS

R7U3MEU7VR

PubChem

39040

ChemSpider

35726.0

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

2,7,8,9-TRICYCLAZOLE

Structure

Physicochemical Descriptors

Cross References