EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C7F94T15OY

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C7F94T15OY


InChI Key	ZSJNNQSQILSGMP-UHFFFAOYSA-N
Smiles	CCn1cc2CC3C(CC(CN3C)NC(=O)n4nc(C)cc4C)c5cccc1c25
InChI	InChI=1S/C23H29N5O/c1-5-27-12-16-10-21-19(18-7-6-8-20(27)22(16)18)11-17(13-26(21)4)24-23(29)28-15(3)9-14(2)25-28/h6-9,12,17,19,21H,5,10-11,13H2,1-4H3,(H,24,29)

InChI Key

ZSJNNQSQILSGMP-UHFFFAOYSA-N

Smiles

CCn1cc2CC3C(CC(CN3C)NC(=O)n4nc(C)cc4C)c5cccc1c25

InChI

InChI=1S/C23H29N5O/c1-5-27-12-16-10-21-19(18-7-6-8-20(27)22(16)18)11-17(13-26(21)4)24-23(29)28-15(3)9-14(2)25-28/h6-9,12,17,19,21H,5,10-11,13H2,1-4H3,(H,24,29)

Property Name	Value
Molecular Formula	C23H29N5O1
Molecular Weight	391.24
AlogP	3.65
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	58.58
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C23H29N5O1

Molecular Weight

391.24

AlogP

3.65

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

58.58

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	7125-71-5
NORMAN SUSDAT
FDA SRS	C7F94T15OY

Resources

Reference

CAS NUMBER

7125-71-5

NORMAN SUSDAT

FDA SRS

C7F94T15OY

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

TOQUIZINE

Structure

Physicochemical Descriptors

Cross References