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canSAR1407081
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NAMES
    SMILES
    CN(C)CCNc1ncnc2c1ncn2[C@H]1CN(Cc2ccccc2)C[C@@H](CO)O1
    InChI
    InChI=1S/C21H29N7O2/c1-26(2)9-8-22-20-19-21(24-14-23-20)28(15-25-19)18-12-27(11-17(13-29)30-18)10-16-6-4-3-5-7-16/h3-7,14-15,17-18,29H,8-13H2,1-2H3,(H,22,23,24)/t17-,18+/m0/s1
    MOLECULAR FORMULA
    C21H29N7O2
    CROSS REFERENCES
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    canSAR1407081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.24
    AlogP 1.19
    HBond donors 2
    HBond acceptors 9
    Atoms 59
    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 canSAR1407081.