EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9GN3OT4156

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9GN3OT4156


InChI Key	FEROPKNOYKURCJ-UHFFFAOYSA-N
Smiles	COc1cc(N)c(Cl)cc1C(=O)NC2CN3CCC2CC3
InChI	InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)

InChI Key

FEROPKNOYKURCJ-UHFFFAOYSA-N

Smiles

COc1cc(N)c(Cl)cc1C(=O)NC2CN3CCC2CC3

InChI

InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)

Property Name	Value
Molecular Formula	C15H20Cl1N3O2
Molecular Weight	309.12
AlogP	2.33
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	71.08
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H20Cl1N3O2

Molecular Weight

309.12

AlogP

2.33

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

71.08

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	90182-92-6
NORMAN SUSDAT
FDA SRS	9GN3OT4156

Resources

Reference

CAS NUMBER

90182-92-6

NORMAN SUSDAT

FDA SRS

9GN3OT4156

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...

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Last update: Monday, 3 November 2025

ZACOPRIDE

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