Details of the Drug

General Information of Drug (ID: DMNZCI1)

Drug Name

YM443

Synonyms

Acofide; Acotiamide

Indication

Disease Entry	ICD 11	Status	REF
Functional dyspepsia	DD90.3	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

541.1

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

10

Hydrogen Bond Donor Count

7

Hydrogen Bond Acceptor Count

11

Chemical Identifiers

Formula: C21H37ClN4O8S
IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide;trihydrate;hydrochloride
Canonical SMILES: CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C.O.O.O.Cl
InChI: InChI=1S/C21H30N4O5S.ClH.3H2O/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26;;;;/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27);1H;3*1H2
InChIKey: NPTDXIXCQCFGKC-UHFFFAOYSA-N