EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2R4QO1868Y

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2R4QO1868Y


InChI Key	KYXOPGDJYLXBOG-UNOMPAQXSA-N
Smiles	OC(CNCCNC1=C(Cl)C(=O)NN=C1)COc2ccccc2Cl
InChI	InChI=1S/C15H18Cl2N4O3/c16-11-3-1-2-4-13(11)24-9-10(22)7-18-5-6-19-12-8-20-21-15(23)14(12)17/h1-4,10,14,18,22H,5-9H2/b19-12-

InChI Key

KYXOPGDJYLXBOG-UNOMPAQXSA-N

Smiles

OC(CNCCNC1=C(Cl)C(=O)NN=C1)COc2ccccc2Cl

InChI

InChI=1S/C15H18Cl2N4O3/c16-11-3-1-2-4-13(11)24-9-10(22)7-18-5-6-19-12-8-20-21-15(23)14(12)17/h1-4,10,14,18,22H,5-9H2/b19-12-

Property Name	Value
Molecular Formula	C15H18Cl2N4O3
Molecular Weight	372.08
AlogP	1.71
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	95.64
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C15H18Cl2N4O3

Molecular Weight

372.08

AlogP

1.71

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

95.64

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	83395-21-5
NORMAN SUSDAT
FDA SRS	2R4QO1868Y

Resources

Reference

CAS NUMBER

83395-21-5

NORMAN SUSDAT

FDA SRS

2R4QO1868Y

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

RIDAZOLOL

Structure

Physicochemical Descriptors

Cross References