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canSAR1154842
FEATURES
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NAMES
    SMILES
    COc1ccc(CN2C(=O)N[C@H]3[C@@H]4NC(=O)c5ccc(Br)n5[C@@H]4C[C@]32O)cc1
    InChI
    InChI=1S/C19H19BrN4O4/c1-28-11-4-2-10(3-5-11)9-23-18(26)22-16-15-13(8-19(16,23)27)24-12(17(25)21-15)6-7-14(24)20/h2-7,13,15-16,27H,8-9H2,1H3,(H,21,25)(H,22,26)/t13-,15-,16+,19+/m1/s1
    MOLECULAR FORMULA
    C19H19BrN4O4
    CROSS REFERENCES
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    canSAR1154842

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.06
    AlogP 1.60
    HBond donors 3
    HBond acceptors 8
    Atoms 47
    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 canSAR1154842.