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canSAR833776
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NAMES
    SMILES
    CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C\CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5/C(C(C)=O)=C\CCCCN5[C@H]43)nccc12
    InChI
    InChI=1S/C42H48N4O4/c1-26(47)30-15-10-8-12-22-46-40(30)36(27(2)48)42-25-45-21-11-7-5-4-6-9-14-29(41(42)46)24-33(34(42)19-23-45)38-39-32(18-20-43-38)31-16-13-17-35(37(31)44-39)50-28(3)49/h4,6,13,15-18,20,24,33-34,41,44H,5,7-12,14,19,21-23,25H2,1-3H3/b6-4-,30-15-/t33-,34-,41-,42-/m1/s1
    MOLECULAR FORMULA
    C42H48N4O4
    CROSS REFERENCES
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    canSAR833776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 672.37
    AlogP 7.72
    HBond donors 1
    HBond acceptors 8
    Atoms 98
    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 canSAR833776.