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canSAR1130356
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NAMES
    SMILES
    COc1cc(-c2cc(C(=O)Nc3nc4ccccc4s3)nc3cc(-c4ccccc4)nn23)cc(OC)c1OC
    InChI
    InChI=1S/C29H23N5O4S/c1-36-23-13-18(14-24(37-2)27(23)38-3)22-15-21(28(35)32-29-31-19-11-7-8-12-25(19)39-29)30-26-16-20(33-34(22)26)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,31,32,35)
    MOLECULAR FORMULA
    C29H23N5O4S
    CROSS REFERENCES
    1130356 logo

    canSAR1130356

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.15
    AlogP 5.95
    HBond donors 1
    HBond acceptors 9
    Atoms 62
    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 canSAR1130356.