Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: SV2NZO0LAU

Structure

InChI Key IIBRYYCFSIBSFT-UHFFFAOYSA-N
Smile C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccc(OC)c(OCC)c1
InChI
InChI=1S/C30H30N2O4/c1-6-16-36-24-13-14-26-25(18-24)29(23-11-9-22(10-12-23)20(3)4)31-30(33)32(26)19-21-8-15-27(34-5)28(17-21)35-7-2/h1,8-15,17-18,20H,7,16,19H2,2-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H30N2O4
Molecular Weight 482.58
AlogP 5.65
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 62.58
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL597800
FDA SRS SV2NZO0LAU
SureChEMBL SCHEMBL3178576
ZINC ZINC000045355238