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canSAR831756
FEATURES
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NAMES
    SMILES
    O=C(Nc1cc2c(cc1F)COB2O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O
    InChI
    InChI=1S/C38H43BF2N6O10S/c40-28-9-6-7-21-17-46(19-26(21)28)37(52)57-24-14-32-33(48)44-38(35(50)45-58(54,55)25-11-12-25)16-23(38)8-4-2-1-3-5-10-30(34(49)47(32)18-24)42-36(51)43-31-15-27-22(13-29(31)41)20-56-39(27)53/h4,6-9,13,15,23-25,30,32,53H,1-3,5,10-12,14,16-20H2,(H,44,48)(H,45,50)(H2,42,43,51)/b8-4-/t23-,24-,30+,32?,38-/m1/s1
    MOLECULAR FORMULA
    C38H43BF2N6O10S
    CROSS REFERENCES
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    canSAR831756

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 824.28
    AlogP 1.80
    HBond donors 5
    HBond acceptors 16
    Atoms 101
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831756.