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canSAR1109243
FEATURES
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NAMES
    SMILES
    O=C(O)c1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1
    InChI
    InChI=1S/C37H28N4O2S/c42-37(43)33-19-27(25-9-3-1-4-10-25)15-16-28(33)23-41-24-38-21-30(41)22-39-29-17-18-31(32(20-29)26-11-5-2-6-12-26)36-40-34-13-7-8-14-35(34)44-36/h1-21,24,39H,22-23H2,(H,42,43)
    MOLECULAR FORMULA
    C37H28N4O2S
    CROSS REFERENCES
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    canSAR1109243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.19
    AlogP 8.85
    HBond donors 2
    HBond acceptors 6
    Atoms 72
    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 canSAR1109243.