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canSAR1685173
FEATURES
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NAMES
    SMILES
    Cc1c(C=CCC(=O)NCCCCNCCCNC(=O)CC=Cc2c(C)c(O)c3ccccc3c2O)c(O)c2ccccc2c1O
    InChI
    InChI=1S/C37H43N3O6/c1-24-26(36(45)30-14-5-3-12-28(30)34(24)43)16-9-18-32(41)39-22-8-7-20-38-21-11-23-40-33(42)19-10-17-27-25(2)35(44)29-13-4-6-15-31(29)37(27)46/h3-6,9-10,12-17,38,43-46H,7-8,11,18-23H2,1-2H3,(H,39,41)(H,40,42)
    MOLECULAR FORMULA
    C37H43N3O6
    CROSS REFERENCES
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    canSAR1685173

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 625.32
    AlogP 5.93
    HBond donors 7
    HBond acceptors 9
    Atoms 89
    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 canSAR1685173.