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canSAR2204821
FEATURES
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NAMES
    SMILES
    CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5cccc(OCCOCCNC(=O)CCC6=[N+]7C(=Cc8c(C)cc(C)n8[B-]7(F)F)C=C6)c5)c4s3)C[C@H]2C)nc1
    InChI
    MOLECULAR FORMULA
    C44H49BF2N8O5S
    CROSS REFERENCES
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    canSAR2204821

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 850.36
    AlogP 6.41
    HBond donors 1
    HBond acceptors 13
    Atoms 110
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2204821.