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canSAR464780
FEATURES
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NAMES
    SMILES
    O=C(C[C@H](O)[C@H](COCc1ccc(-c2ccsc2)cc1)NC(=O)c1c(F)cc(F)cc1F)NC1CCCCC1
    InChI
    InChI=1S/C29H31F3N2O4S/c30-21-12-23(31)28(24(32)13-21)29(37)34-25(26(35)14-27(36)33-22-4-2-1-3-5-22)16-38-15-18-6-8-19(9-7-18)20-10-11-39-17-20/h6-13,17,22,25-26,35H,1-5,14-16H2,(H,33,36)(H,34,37)/t25-,26-/m0/s1
    MOLECULAR FORMULA
    C29H31F3N2O4S
    CROSS REFERENCES
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    canSAR464780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.20
    AlogP 5.35
    HBond donors 3
    HBond acceptors 6
    Atoms 70
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR464780.