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canSAR1686097
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NAMES
    SMILES
    Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC(C)(C)CO)c2c1=O
    InChI
    InChI=1S/C21H27N5O3/c1-20(2,11-27)10-23-18-17-15(24-12-26(5)19(17)28)8-14(25-18)13-6-7-16(22-9-13)21(3,4)29/h6-9,12,27,29H,10-11H2,1-5H3,(H,23,25)
    MOLECULAR FORMULA
    C21H27N5O3
    CROSS REFERENCES
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    canSAR1686097

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.21
    AlogP 2.05
    HBond donors 3
    HBond acceptors 8
    Atoms 56
    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 canSAR1686097.