EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9HN5J913P3
EPA CompTox	DTXSID60145946

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9HN5J913P3

EPA CompTox

DTXSID60145946


InChI Key	SZWYXJHTNGJPKU-UHFFFAOYSA-N
Smiles	O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
InChI	InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2

InChI Key

SZWYXJHTNGJPKU-UHFFFAOYSA-N

Smiles

O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12

InChI

InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2

Property Name	Value
Molecular Formula	C25H24N2O2
Molecular Weight	384.18
AlogP	4.36
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	34.47
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C25H24N2O2

Molecular Weight

384.18

AlogP

4.36

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

5.0

Polar Surface Area

34.47

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	103610-04-4
NORMAN SUSDAT
FDA SRS	9HN5J913P3
PubChem	10045570
ChemSpider	8221134.0

Resources

Reference

CAS NUMBER

103610-04-4

NORMAN SUSDAT

FDA SRS

9HN5J913P3

PubChem

10045570

ChemSpider

8221134.0

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...

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Last update: Monday, 3 November 2025

1-(2-(4-MORPHOLINYL)ETHYL)-3-(1-NAPHTHOYL) INDOLE

Structure

Physicochemical Descriptors

Cross References