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canSAR779214
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NAMES
    SMILES
    Cc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
    InChI
    InChI=1S/C31H28N8/c1-19-14-21(38-18-22-15-23(38)17-37(22)2)6-7-24(19)28-10-13-33-31-29(25-4-3-5-27-26(25)16-34-35-27)30(36-39(28)31)20-8-11-32-12-9-20/h3-14,16,22-23H,15,17-18H2,1-2H3,(H,34,35)/t22-,23-/m0/s1
    MOLECULAR FORMULA
    C31H28N8
    CROSS REFERENCES
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    canSAR779214

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.24
    AlogP 5.20
    HBond donors 1
    HBond acceptors 8
    Atoms 67
    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 canSAR779214.