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canSAR1646971
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(C)CCC
    InChI
    InChI=1S/C45H75N7O7S/c1-11-24-50(10)60(58,59)49-40(57)45(26-31(45)12-2)48-37(54)33-27-44(42(8,9)43(44)22-18-23-43)28-52(33)39(56)35(41(5,6)7)47-38(55)34(30-19-14-13-15-20-30)46-36(53)32-21-16-17-25-51(32)29(3)4/h12,29-35H,2,11,13-28H2,1,3-10H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32+,33+,34+,35-,44-,45-/m1/s1
    MOLECULAR FORMULA
    C45H75N7O7S
    CROSS REFERENCES
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    canSAR1646971

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 857.54
    AlogP 4.41
    HBond donors 4
    HBond acceptors 14
    Atoms 135
    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 canSAR1646971.