Details of the Drug

General Information of Drug (ID: DMH27E0)

Drug Name

3-(4-Phenylpiperazin-1-carbonyl)coumarin

Synonyms

CHEMBL486460; 3-(4-phenylpiperazine-1-carbonyl)-2H-chromen-2-one; 420099-59-8; 3-(4-Phenylpiperazin-1-carbonyl)coumarin; AC1LEC4F; CBMicro_029395; Oprea1_062891; ZINC99797; PEIQALYIIRRQAZ-UHFFFAOYSA-N; MolPort-000-467-605; STK414837; BDBM50244417; AKOS001407600; MCULE-7805538534; NCGC00306822-01; BIM-0029313.P001; ST4080681; AB00094693-01; 3-[(4-phenylpiperazinyl)carbonyl]chromen-2-one; AB00094693-02; 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one; SR-01000218055; Chromen-2-one, 3-(4-phenylpiperazine-1-carbonyl)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

334.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H18N2O3
IUPAC Name: 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one
Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O
InChI: InChI=1S/C20H18N2O3/c23-19(17-14-15-6-4-5-9-18(15)25-20(17)24)22-12-10-21(11-13-22)16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKey: PEIQALYIIRRQAZ-UHFFFAOYSA-N