EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	48G92V856H
EPA CompTox	DTXSID40163148

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

48G92V856H

EPA CompTox

DTXSID40163148


InChI Key	ADXGNEYLLLSOAR-UHFFFAOYSA-N
Smiles	Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CC2
InChI	InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)

InChI Key

ADXGNEYLLLSOAR-UHFFFAOYSA-N

Smiles

Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CC2

InChI

InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)

Property Name	Value
Molecular Formula	C23H21N7O
Molecular Weight	411.18
AlogP	3.42
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	100.55
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C23H21N7O

Molecular Weight

411.18

AlogP

3.42

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

100.55

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	145733-36-4
NORMAN SUSDAT
FDA SRS	48G92V856H
PubChem	60919

Resources

Reference

CAS NUMBER

145733-36-4

NORMAN SUSDAT

FDA SRS

48G92V856H

PubChem

60919

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

TASOSARTAN

Structure

Physicochemical Descriptors

Cross References