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canSAR1204002
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NAMES
    SMILES
    C[C@@H](N1CCn2nnc(-c3cncnc3)c2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
    InChI
    InChI=1S/C21H21F2N9O/c1-14(21(33,10-31-13-26-12-27-31)17-3-2-16(22)6-18(17)23)30-4-5-32-19(9-30)20(28-29-32)15-7-24-11-25-8-15/h2-3,6-8,11-14,33H,4-5,9-10H2,1H3/t14-,21-/m1/s1
    MOLECULAR FORMULA
    C21H21F2N9O
    CROSS REFERENCES
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    canSAR1204002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.18
    AlogP 1.40
    HBond donors 1
    HBond acceptors 10
    Atoms 54
    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 canSAR1204002.