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canSAR2092312
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NAMES
    SMILES
    Cc1ccc2[nH]c(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)nc2c1
    InChI
    InChI=1S/C25H24N4O2/c1-16-7-12-20-21(13-16)28-25(27-20)29-22-14-26-15-23(22)31-24(30)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-13,22-23,26H,14-15H2,1H3,(H2,27,28,29)/t22-,23-/m0/s1
    MOLECULAR FORMULA
    C25H24N4O2
    CROSS REFERENCES
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    canSAR2092312

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.19
    AlogP 4.15
    HBond donors 3
    HBond acceptors 6
    Atoms 55
    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 canSAR2092312.