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canSAR560320
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OC)C(=O)C(CC1CCN(CCNc3c4c(nc5ccccc35)CCCC4)CC1)C2
    InChI
    InChI=1S/C32H39N3O3/c1-37-29-19-22-18-23(32(36)26(22)20-30(29)38-2)17-21-11-14-35(15-12-21)16-13-33-31-24-7-3-5-9-27(24)34-28-10-6-4-8-25(28)31/h3,5,7,9,19-21,23H,4,6,8,10-18H2,1-2H3,(H,33,34)
    MOLECULAR FORMULA
    C32H39N3O3
    CROSS REFERENCES
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    canSAR560320

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.30
    AlogP 5.70
    HBond donors 1
    HBond acceptors 6
    Atoms 77
    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 canSAR560320.