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canSAR1525072
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NAMES
    SMILES
    COC(=O)CC=S(C)(=O)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)cc3)ccn2)c1
    InChI
    InChI=1S/C29H29N5O6S/c1-19-5-4-6-22(15-19)33-29(37)32-21-7-9-23(10-8-21)40-24-11-13-30-26(17-24)25-16-20(18-31-25)28(36)34-41(3,38)14-12-27(35)39-2/h4-11,13-18,31H,12H2,1-3H3,(H2,32,33,37)(H,34,36,38)
    MOLECULAR FORMULA
    C29H29N5O6S
    CROSS REFERENCES
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    canSAR1525072

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 575.18
    AlogP 4.75
    HBond donors 4
    HBond acceptors 11
    Atoms 70
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1525072.