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canSAR2003899
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NAMES
    SMILES
    COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC(c5ccccc5)C4)nc3n2)cc1CO
    InChI
    InChI=1S/C30H33N5O4/c1-20-19-38-14-13-35(20)29-24-9-10-25(22-8-11-26(37-2)23(16-22)18-36)31-28(24)32-30(33-29)34-12-15-39-27(17-34)21-6-4-3-5-7-21/h3-11,16,20,27,36H,12-15,17-19H2,1-2H3/t20-,27?/m0/s1
    MOLECULAR FORMULA
    C30H33N5O4
    CROSS REFERENCES
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    canSAR2003899

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.25
    AlogP 4.00
    HBond donors 1
    HBond acceptors 9
    Atoms 72
    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 canSAR2003899.