Details of the Drug

General Information of Drug (ID: DMM0ZIJ)

Drug Name

Belaperidone

Synonyms

Balaperidone; Belaperidone [INN]; LU 111995; LU-111995; 3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dione; 3-{2-[(1s,5r,6s)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]hept-3-yl]ethyl}quinazoline-2,4(1h,3h)-dione

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

379.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H22FN3O2
IUPAC Name: 3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dione
Canonical SMILES: C1[C@@H]2CN(C[C@@H]2[C@H]1C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H22FN3O2/c23-16-7-5-14(6-8-16)18-11-15-12-25(13-19(15)18)9-10-26-21(27)17-3-1-2-4-20(17)24-22(26)28/h1-8,15,18-19H,9-13H2,(H,24,28)/t15-,18-,19+/m1/s1
InChIKey: XLJWJFKYRFPJSD-LZQZEXGQSA-N