EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RK2972YZ2U
EPA CompTox	DTXSID00869912

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RK2972YZ2U

EPA CompTox

DTXSID00869912


InChI Key	CZPILLBHPRAPCB-AREMUKBSSA-N
Smiles	CN1C(=O)[C@@H](NC(=O)c2cc3cccc4c3n2CCC4)N=C(c2ccccc2)c2ccccc21
InChI	InChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1

InChI Key

CZPILLBHPRAPCB-AREMUKBSSA-N

Smiles

CN1C(=O)[C@@H](NC(=O)c2cc3cccc4c3n2CCC4)N=C(c2ccccc2)c2ccccc21

InChI

InChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1

Property Name	Value
Molecular Formula	C28H24N4O2
Molecular Weight	448.19
AlogP	4.73
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	70.19
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C28H24N4O2

Molecular Weight

448.19

AlogP

4.73

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

70.19

Heavy Atoms

34.0

Resources	Reference
CAS NUMBER	141374-81-4
NORMAN SUSDAT
FDA SRS	RK2972YZ2U
PubChem	10343641

Resources

Reference

CAS NUMBER

141374-81-4

NORMAN SUSDAT

FDA SRS

RK2972YZ2U

PubChem

10343641

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

TARAZEPIDE

Structure

Physicochemical Descriptors

Cross References