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canSAR1013246
FEATURES
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NAMES
    SMILES
    Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]13)CCC(C)(COc1ccc(/C=C3\SC(=O)NC3=O)cc1)O2
    InChI
    InChI=1S/C42H54N4O8S2/c1-25-26(2)38-30(19-20-42(4,54-38)24-52-29-17-15-28(16-18-29)22-33-39(49)46-41(51)56-33)27(3)37(25)53-35(48)14-8-6-5-7-11-21-43-34(47)13-10-9-12-32-36-31(23-55-32)44-40(50)45-36/h15-18,22,31-32,36H,5-14,19-21,23-24H2,1-4H3,(H,43,47)(H2,44,45,50)(H,46,49,51)/b33-22-/t31-,32-,36-,42?/m0/s1
    MOLECULAR FORMULA
    C42H54N4O8S2
    CROSS REFERENCES
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    canSAR1013246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 806.34
    AlogP 7.19
    HBond donors 4
    HBond acceptors 12
    Atoms 110
    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 canSAR1013246.