EcoDrugPlus


Synonyms	CIN-102 Deudomperidone
Status
Molecule Category	Free-form
UNII	HN0VIB0W8W

Synonyms

CIN-102

Deudomperidone

Status

Molecule Category

Free-form

UNII

HN0VIB0W8W


InChI Key	FGXWKSZFVQUSTL-GYABSUSNSA-N
Smiles	[2H]c1c([2H])c([2H])c2c([nH]c(=O)n2CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)c1[2H]
InChI	InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)/i1D,2D,4D,5D

InChI Key

FGXWKSZFVQUSTL-GYABSUSNSA-N

Smiles

[2H]c1c([2H])c([2H])c2c([nH]c(=O)n2CCCN2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)c1[2H]

InChI

InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)/i1D,2D,4D,5D

Property Name	Value
Molecular Formula	C22H24ClN5O2
Molecular Weight	429.94
AlogP	3.35
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	78.82
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C22H24ClN5O2

Molecular Weight

429.94

AlogP

3.35

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

78.82

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

30.0

Resources	Reference
ChEMBL	CHEMBL4594380
FDA SRS	HN0VIB0W8W

Resources

Reference

ChEMBL

CHEMBL4594380

FDA SRS

HN0VIB0W8W

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

DEUDOMPERIDONE

Structure

Physicochemical Descriptors

Cross References