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canSAR831329
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NAMES
    SMILES
    CC(C)CCCC(C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](OC(=O)CCC(=O)NCCCN(C)C)CCC4(C)[C@H]3CCC21C
    InChI
    InChI=1S/C36H62N2O3/c1-25(2)10-8-11-26(3)30-14-15-31-29-13-12-27-24-28(18-20-35(27,4)32(29)19-21-36(30,31)5)41-34(40)17-16-33(39)37-22-9-23-38(6)7/h12,25-26,28-32H,8-11,13-24H2,1-7H3,(H,37,39)/t26?,28-,29?,30+,31-,32-,35?,36?/m0/s1
    MOLECULAR FORMULA
    C36H62N2O3
    CROSS REFERENCES
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    canSAR831329

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.48
    AlogP 7.79
    HBond donors 1
    HBond acceptors 5
    Atoms 103
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831329.