LAVOLTIDINE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: X16K5179V5

Structure
InChI Key VTLNPNNUIJHJQB-UHFFFAOYSA-N
Smile Cn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1
InChI
InChI=1S/C19H29N5O2/c1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24/h5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H29N5O2
Molecular Weight 359.47
AlogP 2.17
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 75.44
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Reference
Gastroesophageal Reflux Phase 1 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 76956-02-0
ChEBI 6550
ChEMBL CHEMBL2110857
DrugBank DB12884
EPA CompTox DTXSID0020785
FDA SRS X16K5179V5
KEGG C11805
PubChem 55473
SureChEMBL SCHEMBL1142
ZINC ZINC000001532377
CONTENTS