LANIQUIDAR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K3FRN4DDOY

Structure
InChI Key TULGGJGJQXESOO-UHFFFAOYSA-N
Smile COC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CC1
InChI
InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H36N4O3
Molecular Weight 584.72
AlogP 6.49
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 69.48
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 44.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 197509-46-9
ChEMBL CHEMBL539378
DrugBank DB12799
EPA CompTox DTXSID10173436
FDA SRS K3FRN4DDOY
PubChem 6450806
SureChEMBL SCHEMBL1649844
ZINC ZINC000003937143
CONTENTS