EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7SGV5HQH8B
EPA CompTox	DTXSID30866131

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7SGV5HQH8B

EPA CompTox

DTXSID30866131


InChI Key	SZSWKYIWACGNDZ-UHFFFAOYSA-N
Smiles	CC(Cc1ccccc1)NCCc2c3ccccc3nc4ccccc24
InChI	InChI=1S/C24H24N2/c1-18(17-19-9-3-2-4-10-19)25-16-15-20-21-11-5-7-13-23(21)26-24-14-8-6-12-22(20)24/h2-14,18,25H,15-17H2,1H3

InChI Key

SZSWKYIWACGNDZ-UHFFFAOYSA-N

Smiles

CC(Cc1ccccc1)NCCc2c3ccccc3nc4ccccc24

InChI

InChI=1S/C24H24N2/c1-18(17-19-9-3-2-4-10-19)25-16-15-20-21-11-5-7-13-23(21)26-24-14-8-6-12-22(20)24/h2-14,18,25H,15-17H2,1H3

Property Name	Value
Molecular Formula	C24H24N2
Molecular Weight	340.19
AlogP	5.15
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	24.92
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C24H24N2

Molecular Weight

340.19

AlogP

5.15

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

24.92

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	47487-22-9
NORMAN SUSDAT
FDA SRS	7SGV5HQH8B

Resources

Reference

CAS NUMBER

47487-22-9

NORMAN SUSDAT

FDA SRS

7SGV5HQH8B

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ACRIDOREX

Structure

Physicochemical Descriptors

Cross References