GW-870086

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Synonyms
Status
Molecule Category Free-form
UNII O891A2A3ZU

Structure

InChI Key WUBKGTSFJSEIEM-NSHBDUGJSA-N
Smiles C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1C(C)(C)C1(C)C)C(=O)OCC#N
InChI
InChI=1S/C31H39F2NO6/c1-16-12-18-19-14-21(32)20-13-17(35)8-9-28(20,6)30(19,33)22(36)15-29(18,7)31(16,25(38)39-11-10-34)40-24(37)23-26(2,3)27(23,4)5/h8-9,13,16,18-19,21-23,36H,11-12,14-15H2,1-7H3/t16-,18+,19+,21+,22+,28+,29+,30+,31+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H39F2NO6
Molecular Weight 559.65
AlogP 4.58
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 113.69
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 40.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297388
DrugBank DB12322
FDA SRS O891A2A3ZU
PubChem 11376392
SureChEMBL SCHEMBL524179
CONTENTS