EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	323A00CRO9
EPA CompTox	DTXSID50236291

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

323A00CRO9

EPA CompTox

DTXSID50236291


InChI Key	CWJNMKKMGIAGDK-UHFFFAOYSA-N
Smiles	COc1ccccc1OC(=O)CNC(=O)Cc2ccc(n2C)C(=O)c3ccc(C)cc3
InChI	InChI=1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)

InChI Key

CWJNMKKMGIAGDK-UHFFFAOYSA-N

Smiles

COc1ccccc1OC(=O)CNC(=O)Cc2ccc(n2C)C(=O)c3ccc(C)cc3

InChI

InChI=1S/C24H24N2O5/c1-16-8-10-17(11-9-16)24(29)19-13-12-18(26(19)2)14-22(27)25-15-23(28)31-21-7-5-4-6-20(21)30-3/h4-13H,14-15H2,1-3H3,(H,25,27)

Property Name	Value
Molecular Formula	C24H24N2O5
Molecular Weight	420.17
AlogP	3.68
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	90.12
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C24H24N2O5

Molecular Weight

420.17

AlogP

3.68

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

90.12

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	87344-06-7
NORMAN SUSDAT
FDA SRS	323A00CRO9

Resources

Reference

CAS NUMBER

87344-06-7

NORMAN SUSDAT

FDA SRS

323A00CRO9

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

AMTOLMETIN GUACIL

Structure

Physicochemical Descriptors

Cross References