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canSAR726069
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NAMES
    SMILES
    Nc1ccc(/C=C2/CCCc3c2nc2nc4s/c(=C\c5cccs5)c(=O)n4c(=O)c2c3-c2ccc(N)cc2)cc1
    InChI
    InChI=1S/C31H23N5O2S2/c32-20-10-6-17(7-11-20)15-19-3-1-5-23-25(18-8-12-21(33)13-9-18)26-28(34-27(19)23)35-31-36(30(26)38)29(37)24(40-31)16-22-4-2-14-39-22/h2,4,6-16H,1,3,5,32-33H2/b19-15-,24-16-
    MOLECULAR FORMULA
    C31H23N5O2S2
    CROSS REFERENCES
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    canSAR726069

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.13
    AlogP 4.98
    HBond donors 4
    HBond acceptors 7
    Atoms 63
    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 canSAR726069.