ROLUPERIDONE HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WFL7TF8DTP

Structure
InChI Key NZKANSJXJCILHS-UHFFFAOYSA-N
Smile Cl.O.O.O=C(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1
InChI
InChI=1S/C22H23FN2O2.ClH.2H2O/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27;;;/h1-8,16H,9-15H2;1H;2*1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28ClFN2O4
Molecular Weight 438.93
AlogP 3.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 40.62
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 1 D012559 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4298043
FDA SRS WFL7TF8DTP
PubChem 21078080
SureChEMBL SCHEMBL5253902
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