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canSAR502555
FEATURES
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NAMES
    SMILES
    Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1
    InChI
    InChI=1S/C30H38FN5O4S/c31-14-10-22-12-16-36(17-13-22)30(38)28(19-24-6-8-25(32)9-7-24)35-41(39,40)29-20-33-15-11-27(29)34-26(21-37)18-23-4-2-1-3-5-23/h1-9,11,15,20,22,26,28,35,37H,10,12-14,16-19,21,32H2,(H,33,34)/t26-,28-/m0/s1
    MOLECULAR FORMULA
    C30H38FN5O4S
    CROSS REFERENCES
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    canSAR502555

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 583.26
    AlogP 3.17
    HBond donors 5
    HBond acceptors 9
    Atoms 79
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR502555.