EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	KN08449444
EPA CompTox	DTXSID40190611

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

KN08449444

EPA CompTox

DTXSID40190611


InChI Key	GJSLOMWRLALDCT-UHFFFAOYSA-N
Smiles	CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
InChI	InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3

InChI Key

GJSLOMWRLALDCT-UHFFFAOYSA-N

Smiles

CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3

Property Name	Value
Molecular Formula	C19H18Cl1N5
Molecular Weight	351.13
AlogP	3.33
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	46.31
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H18Cl1N5

Molecular Weight

351.13

AlogP

3.33

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

3.0

Polar Surface Area

46.31

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	37115-32-5
NORMAN SUSDAT
FDA SRS	KN08449444
PubChem	37632
ChemSpider	34519.0

Resources

Reference

CAS NUMBER

37115-32-5

NORMAN SUSDAT

FDA SRS

KN08449444

PubChem

37632

ChemSpider

34519.0

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, 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

ADINAZOLAM

Structure

Physicochemical Descriptors

Cross References