Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K1WO7H97QZ

Structure

InChI Key BABFYCSPNDKXRI-UHFFFAOYSA-N
Smile NCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChI
InChI=1S/C25H33ClN4O2S/c26-20-8-9-24-22(19-20)30(21-5-1-2-6-23(21)33-24)12-4-11-28-13-15-29(16-14-28)17-18-32-25(31)7-3-10-27/h1-2,5-6,8-9,19H,3-4,7,10-18,27H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H33ClN4O2S
Molecular Weight 489.09
AlogP 4.23
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 62.04
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1187646
FDA SRS K1WO7H97QZ
PubChem 11203271
SureChEMBL SCHEMBL8250036
ZINC ZINC000034582030