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canSAR829438
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NAMES
    SMILES
    CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(Cl)c1
    InChI
    InChI=1S/C30H25ClN8/c1-37-16-21-13-20(37)17-38(21)19-5-6-23(25(31)14-19)27-9-12-33-30-28(22-3-2-4-26-24(22)15-34-35-26)29(36-39(27)30)18-7-10-32-11-8-18/h2-12,14-15,20-21H,13,16-17H2,1H3,(H,34,35)/t20-,21-/m0/s1
    MOLECULAR FORMULA
    C30H25ClN8
    CROSS REFERENCES
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    canSAR829438

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.19
    AlogP 5.55
    HBond donors 1
    HBond acceptors 8
    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 canSAR829438.