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canSAR1720002
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NAMES
    SMILES
    C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(F)c(CO)c3)nc2n1
    InChI
    InChI=1S/C24H28FN5O3/c1-15-13-32-9-7-29(15)23-19-4-6-21(17-3-5-20(25)18(11-17)12-31)26-22(19)27-24(28-23)30-8-10-33-14-16(30)2/h3-6,11,15-16,31H,7-10,12-14H2,1-2H3/t15-,16-/m0/s1
    MOLECULAR FORMULA
    C24H28FN5O3
    CROSS REFERENCES
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    canSAR1720002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.22
    AlogP 2.77
    HBond donors 1
    HBond acceptors 8
    Atoms 61
    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 canSAR1720002.