EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form

Keyword(s):

Natural Toxins

Molecule Category

Free-form


InChI Key	DXBKHLCWCLNLMS-UHFFFAOYSA-N
Smiles	C1CCC2=C(C1)C=C3C4=C(C=CN3C2=O)C5=CC=CC=C5N4
InChI	InChI=1S/C19H16N2O/c22-19-13-6-2-1-5-12(13)11-17-18-15(9-10-21(17)19)14-7-3-4-8-16(14)20-18/h3-4,7-11,20H,1-2,5-6H2

InChI Key

DXBKHLCWCLNLMS-UHFFFAOYSA-N

Smiles

C1CCC2=C(C1)C=C3C4=C(C=CN3C2=O)C5=CC=CC=C5N4

InChI

InChI=1S/C19H16N2O/c22-19-13-6-2-1-5-12(13)11-17-18-15(9-10-21(17)19)14-7-3-4-8-16(14)20-18/h3-4,7-11,20H,1-2,5-6H2

Property Name	Value
Molecular Formula	C19H16N2O
Molecular Weight	288.13
AlogP	3.81
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	37.27
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H16N2O

Molecular Weight

288.13

AlogP

3.81

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

37.27

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	865187-16-2
NORMAN SUSDAT
PubChem	11483103
ChemSpider	9657923.0

Resources

Reference

CAS NUMBER

865187-16-2

NORMAN SUSDAT

PubChem

11483103

ChemSpider

9657923.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2,3,4,13-TETRAHYDROINDOLO[2',3':3,4]PYRIDO[1,2-B]ISOQUINOLIN-5(1H)-ONE

Structure

Physicochemical Descriptors

Cross References