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canSAR1430731
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NAMES
    SMILES
    CN(C)CCCOc1ccc(NC2c3ccccc3CSc3ccccc32)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C25H28N2OS.C2H2O4/c1-27(2)16-7-17-28-21-14-12-20(13-15-21)26-25-22-9-4-3-8-19(22)18-29-24-11-6-5-10-23(24)25;3-1(4)2(5)6/h3-6,8-15,25-26H,7,16-18H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C27H30N2O5S
    CROSS REFERENCES
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    canSAR1430731

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.19
    AlogP 4.98
    HBond donors 3
    HBond acceptors 7
    Atoms 65
    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 canSAR1430731.