EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40725427

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40725427


InChI Key	COYHGVCHRRXECF-UHFFFAOYSA-N
Smiles	C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(C5=CC=CC=C54)CCCCCF
InChI	InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)

InChI Key

COYHGVCHRRXECF-UHFFFAOYSA-N

Smiles

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(C5=CC=CC=C54)CCCCCF

InChI

InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)

Property Name	Value
Molecular Formula	C24H31F1N2O1
Molecular Weight	382.24
AlogP	6.05
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	37.52
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H31F1N2O1

Molecular Weight

382.24

AlogP

6.05

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

37.52

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	1354631-26-7
NORMAN SUSDAT
PubChem	57404059
ChemSpider	28189067.0

Resources

Reference

CAS NUMBER

1354631-26-7

NORMAN SUSDAT

PubChem

57404059

ChemSpider

28189067.0

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

1-(5-FLUOROPENTYL)-N-(TRICYCLO[3.3.1.1~3,7~]DECAN-1-YL)-1H-INDOLE-3-CARBOXAMIDE

Structure

Physicochemical Descriptors

Cross References