canSAR1631987
FEATURES
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NAMES
    SMILES
    CC[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)C(C)C
    InChI
    InChI=1S/C45H77N7O7S/c1-12-31-25-45(31,40(57)49-60(58,59)50(11)28(2)3)48-37(54)33-26-44(42(9,10)43(44)22-18-23-43)27-52(33)39(56)35(41(6,7)8)47-38(55)34(30-19-14-13-15-20-30)46-36(53)32-21-16-17-24-51(32)29(4)5/h28-35H,12-27H2,1-11H3,(H,46,53)(H,47,55)(H,48,54)(H,49,57)/t31-,32+,33+,34+,35-,44-,45-/m1/s1
    MOLECULAR FORMULA
    C45H77N7O7S
    CROSS REFERENCES
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    canSAR1631987
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight859.56
    AlogP4.63
    HBond donors4
    HBond acceptors14
    Atoms137
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631987.