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canSAR1592729
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OC[C@@H]3F)c2)nc1
    InChI
    InChI=1S/C18H18F2N4O3/c1-18(15(20)9-27-17(21)24-18)12-7-10(3-5-13(12)19)23-16(25)14-6-4-11(26-2)8-22-14/h3-8,15H,9H2,1-2H3,(H2,21,24)(H,23,25)/t15-,18+/m0/s1
    MOLECULAR FORMULA
    C18H18F2N4O3
    CROSS REFERENCES
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    canSAR1592729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.13
    AlogP 2.38
    HBond donors 3
    HBond acceptors 7
    Atoms 45
    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 canSAR1592729.