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canSAR1596205
FEATURES
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NAMES
    SMILES
    COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)CCOc2ccccc2)C(C)C)C(C)C)ccc1OC
    InChI
    InChI=1S/C37H60N2O6/c1-26(2)29(21-28-15-16-34(43-8)35(22-28)45-19-12-18-42-7)23-32(38)33(40)24-31(27(3)4)36(41)39-25-37(5,6)17-20-44-30-13-10-9-11-14-30/h9-11,13-16,22,26-27,29,31-33,40H,12,17-21,23-25,38H2,1-8H3,(H,39,41)/t29-,31-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C37H60N2O6
    CROSS REFERENCES
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    canSAR1596205

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 628.45
    AlogP 6.28
    HBond donors 4
    HBond acceptors 8
    Atoms 105
    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 canSAR1596205.