EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID4072788

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID4072788


InChI Key	XFXKYJLMUDUXNS-UHFFFAOYSA-N
Smiles	CCCNc1ccc2ccccc2c1N=Nc1ccc(cc1)N=Nc1ccccc1
InChI	InChI=1S/C25H23N5/c1-2-18-26-24-17-12-19-8-6-7-11-23(19)25(24)30-29-22-15-13-21(14-16-22)28-27-20-9-4-3-5-10-20/h3-17,26H,2,18H2,1H3/b28-27+,30-29+

InChI Key

XFXKYJLMUDUXNS-UHFFFAOYSA-N

Smiles

CCCNc1ccc2ccccc2c1N=Nc1ccc(cc1)N=Nc1ccccc1

InChI

InChI=1S/C25H23N5/c1-2-18-26-24-17-12-19-8-6-7-11-23(19)25(24)30-29-22-15-13-21(14-16-22)28-27-20-9-4-3-5-10-20/h3-17,26H,2,18H2,1H3/b28-27+,30-29+

Property Name	Value
Molecular Formula	C25H23N5
Molecular Weight	393.2
AlogP	8.49
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	61.47
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C25H23N5

Molecular Weight

393.2

AlogP

8.49

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

61.47

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	74186-15-5
NORMAN SUSDAT
PubChem	173256
ChemSpider	151271.0

Resources

Reference

CAS NUMBER

74186-15-5

NORMAN SUSDAT

PubChem

173256

ChemSpider

151271.0

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-NAPHTHALENAMINE, 1-[[4-(PHENYLAZO)PHENYL]AZO]-N-PROPYL-

Structure

Physicochemical Descriptors

Cross References