Structure

InChI Key JAHDAIPFBPPQHQ-GDLZYMKVSA-N
Smile C#Cc1cccc(-c2cc(=O)n(C)c3ccc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChI
InChI=1S/C29H22ClN3O2/c1-4-19-6-5-7-20(14-19)24-16-28(34)33(3)26-13-10-22(15-25(24)26)29(35,27-17-31-18-32(27)2)21-8-11-23(30)12-9-21/h1,5-18,35H,2-3H3/t29-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H22ClN3O2
Molecular Weight 479.97
AlogP 4.86
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 60.05
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 1 D000544 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297367
DrugBank DB12640
EPA CompTox DTXSID40152294
FDA SRS L0S47W9GPY
PubChem 46208720
SureChEMBL SCHEMBL4277842