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canSAR1971224
FEATURES
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NAMES
    SMILES
    CC(C)(C)Nc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cccnc5)c4)cccc23)ccc1C(N)=O
    InChI
    InChI=1S/C29H25F3N6O/c1-28(2,3)37-22-12-17(9-10-20(22)27(33)39)21-13-25(29(30,31)32)36-26-19(21)7-4-8-24(26)38-15-23(35-16-38)18-6-5-11-34-14-18/h4-16,37H,1-3H3,(H2,33,39)
    MOLECULAR FORMULA
    C29H25F3N6O
    CROSS REFERENCES
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    canSAR1971224

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.20
    AlogP 6.48
    HBond donors 3
    HBond acceptors 7
    Atoms 64
    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 canSAR1971224.