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canSAR1765552
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NAMES
    SMILES
    Cc1cc(Nc2cc(C(C)C)ccn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1
    InChI
    InChI=1S/C28H28N4O3S/c1-16(2)18-8-10-29-24(14-18)32-25-12-17(3)11-22(31-25)23-15-30-27(36-23)28(35)9-4-5-19-13-20(26(33)34)6-7-21(19)28/h6-8,10-16,35H,4-5,9H2,1-3H3,(H,33,34)(H,29,31,32)
    MOLECULAR FORMULA
    C28H28N4O3S
    CROSS REFERENCES
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    canSAR1765552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.19
    AlogP 6.05
    HBond donors 3
    HBond acceptors 7
    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 canSAR1765552.