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canSAR1018395
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NAMES
    SMILES
    CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCCCCCCOc3cc(C)cc4c3[C@H](C)CC[C@H]4[C@@H](C)CCC=C(C)C)cc(C)cc21
    InChI
    InChI=1S/C46H70O2/c1-31(2)17-15-19-35(7)39-23-21-37(9)45-41(39)27-33(5)29-43(45)47-25-13-11-12-14-26-48-44-30-34(6)28-42-40(24-22-38(10)46(42)44)36(8)20-16-18-32(3)4/h17-18,27-30,35-40H,11-16,19-26H2,1-10H3/t35-,36-,37+,38+,39-,40-/m0/s1
    MOLECULAR FORMULA
    C46H70O2
    CROSS REFERENCES
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    canSAR1018395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.54
    AlogP 14.05
    HBond donors 0
    HBond acceptors 2
    Atoms 118
    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 canSAR1018395.