EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	10NHF3008V
EPA CompTox	DTXSID40939709

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

10NHF3008V

EPA CompTox

DTXSID40939709


InChI Key	ZNVROOKNPJQYOJ-UHFFFAOYSA-N
Smiles	CN1CCN=C1c2cccc(Oc3nc(OC4=CC(C=CC4=O)=C(N)N)c(F)c(CNCC(O)=O)c3F)c2
InChI	InChI=1S/C25H24F2N6O5/c1-33-8-7-31-23(33)14-3-2-4-15(9-14)37-24-20(26)16(11-30-12-19(35)36)21(27)25(32-24)38-18-10-13(22(28)29)5-6-17(18)34/h2-6,9-10,13,30H,7-8,11-12H2,1H3,(H3,28,29)(H,35,36)

InChI Key

ZNVROOKNPJQYOJ-UHFFFAOYSA-N

Smiles

CN1CCN=C1c2cccc(Oc3nc(OC4=CC(C=CC4=O)=C(N)N)c(F)c(CNCC(O)=O)c3F)c2

InChI

InChI=1S/C25H24F2N6O5/c1-33-8-7-31-23(33)14-3-2-4-15(9-14)37-24-20(26)16(11-30-12-19(35)36)21(27)25(32-24)38-18-10-13(22(28)29)5-6-17(18)34/h2-6,9-10,13,30H,7-8,11-12H2,1H3,(H3,28,29)(H,35,36)

Property Name	Value
Molecular Formula	C25H24F2N6O5
Molecular Weight	526.18
AlogP	1.97
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	163.22
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C25H24F2N6O5

Molecular Weight

526.18

AlogP

1.97

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

10.0

Polar Surface Area

163.22

Heavy Atoms

38.0

Resources	Reference
CAS NUMBER	183305-24-0
NORMAN SUSDAT
FDA SRS	10NHF3008V

Resources

Reference

CAS NUMBER

183305-24-0

NORMAN SUSDAT

FDA SRS

10NHF3008V

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

FIDEXABAN

Structure

Physicochemical Descriptors

Cross References