Molecule

(3S,3aS,6aS)-5-[(3,5-difluorophenyl)methyl]-1-methyl-3-(2-methylpyrimidin-4-yl)oxy-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one

AlkaPlorer ID: AK584900

Synonym: None

IUPAC Name: (3S,3aS,6aS)-5-[(3,5-difluorophenyl)methyl]-1-methyl-3-(2-methylpyrimidin-4-yl)oxy-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrol-2-one

Structure

SMILES: CC1=NC(O[C@@H]2C(=O)N(C)[C@@H]3CN(CC4=CC(F)=CC(F)=C4)C[C@H]23)=CC=N1

InChI: InChI=1S/C19H20F2N4O2/c1-11-22-4-3-17(23-11)27-18-15-9-25(10-16(15)24(2)19(18)26)8-12-5-13(20)7-14(21)6-12/h3-7,15-16,18H,8-10H2,1-2H3/t15-,16+,18-/m0/s1

InChIKey: YSFDZVSJDCARJC-JZXOWHBKSA-N

Reference

Leucinostatins from<i>Ophiocordyceps</i>spp. and<i>Purpureocillium</i>spp. Demonstrate Selective Antiproliferative Effects in Cells Representing the Luminal Androgen Receptor Subtype of Triple Negative Breast Cancer

PubChem CID: 146119943

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 374.391

TPSA？: 58.56

MolLogP？: 1.7832199999999996

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi