EcoDrugPlus


Synonyms	CPI-1189 Cp1-1189 Cpi-1189
Status
Molecule Category	Free-form
UNII	9JX1L8VH4Z
EPA CompTox	DTXSID90171455

Synonyms

CPI-1189

Cp1-1189

Cpi-1189

Status

Molecule Category

Free-form

UNII

9JX1L8VH4Z

EPA CompTox

DTXSID90171455


InChI Key	DJKNRCWSXSZACF-UHFFFAOYSA-N
Smiles	CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChI	InChI=1S/C13H18N2O2/c1-9(16)14-11-7-5-10(6-8-11)12(17)15-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)

InChI Key

DJKNRCWSXSZACF-UHFFFAOYSA-N

Smiles

CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1

InChI

InChI=1S/C13H18N2O2/c1-9(16)14-11-7-5-10(6-8-11)12(17)15-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)

Property Name	Value
Molecular Formula	C13H18N2O2
Molecular Weight	234.3
AlogP	2.17
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	58.2
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H18N2O2

Molecular Weight

234.3

AlogP

2.17

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

58.2

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

17.0

Resources	Reference
ChEMBL	CHEMBL4297369
DrugBank	DB12311
FDA SRS	9JX1L8VH4Z
PubChem	151118
SureChEMBL	SCHEMBL154117
ZINC	ZINC000000008596

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

CP1-1189

Structure

Physicochemical Descriptors

Cross References