PF-5212372

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Synonyms
Status
Molecule Category Free-form
UNII 7LNI1E5EFA

Structure

InChI Key HWNIPKHEEVNHMN-UHFFFAOYSA-N
Smiles O=C(O)CCc1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccccc3C(F)(F)F)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
InChI
InChI=1S/C42H38ClF3N2O6S2/c43-33-18-21-38-36(27-33)35(24-26-55(51,52)34-19-15-29(16-20-34)17-22-40(49)50)39(48(38)41(30-9-3-1-4-10-30)31-11-5-2-6-12-31)23-25-47-56(53,54)28-32-13-7-8-14-37(32)42(44,45)46/h1-16,18-21,27,41,47H,17,22-26,28H2,(H,49,50)

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H38ClF3N2O6S2
Molecular Weight 823.36
AlogP 8.65
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 122.54
Molecular species ACID
Aromatic Rings 6.0
Heavy Atoms 56.0

Cross References

Resources Reference
ChEMBL CHEMBL4650312
FDA SRS 7LNI1E5EFA
CONTENTS