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canSAR782637
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)CN(C(=O)[C@@H](NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C1Cc2ccccc2C1)C(=O)c1ccc(C(F)(F)F)cc1
    InChI
    InChI=1S/C42H42ClF3N4O7S/c1-24(2)36(38(52)26-13-15-31(16-14-26)42(44,45)46)47-35(51)23-50(33-21-29-7-5-6-8-30(29)22-33)41(55)37(25(3)4)48-39(53)27-9-11-28(12-10-27)40(54)49-58(56,57)34-19-17-32(43)18-20-34/h5-20,24-25,33,36-37H,21-23H2,1-4H3,(H,47,51)(H,48,53)(H,49,54)/t36-,37-/m0/s1
    MOLECULAR FORMULA
    C42H42ClF3N4O7S
    CROSS REFERENCES
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    canSAR782637

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 838.24
    AlogP 6.25
    HBond donors 3
    HBond acceptors 11
    Atoms 100
    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 canSAR782637.