AFP-464

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Synonyms
Status
Molecule Category Free-form
UNII 73JNH95XPX

Structure

InChI Key FGBVBMVABCVDKQ-CKUXDGONSA-N
Smiles CS(=O)(=O)O.CS(=O)(=O)O.Cc1c(F)c(N)c2c(=O)cc(-c3ccc(NC(=O)[C@@H](N)CCCCCCN)c(F)c3)oc2c1F
InChI
InChI=1S/C24H27F3N4O3.2CH4O3S/c1-12-20(26)22(30)19-17(32)11-18(34-23(19)21(12)27)13-7-8-16(14(25)10-13)31-24(33)15(29)6-4-2-3-5-9-28;2*1-5(2,3)4/h7-8,10-11,15H,2-6,9,28-30H2,1H3,(H,31,33);2*1H3,(H,2,3,4)/t15-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H35F3N4O9S2
Molecular Weight 668.71
AlogP 3.94
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 137.37
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Cross References

Resources Reference
ChEMBL CHEMBL4802131
FDA SRS 73JNH95XPX
CONTENTS