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canSAR1092726
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NAMES
    SMILES
    CC[C@H](CO)Nc1nc(NCc2cccc(OC)c2OC)c2ncn(C(C)C)c2n1
    InChI
    InChI=1S/C21H30N6O3/c1-6-15(11-28)24-21-25-19(17-20(26-21)27(12-23-17)13(2)3)22-10-14-8-7-9-16(29-4)18(14)30-5/h7-9,12-13,15,28H,6,10-11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
    MOLECULAR FORMULA
    C21H30N6O3
    CROSS REFERENCES
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    canSAR1092726

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.24
    AlogP 3.22
    HBond donors 3
    HBond acceptors 9
    Atoms 60
    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 canSAR1092726.