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canSAR168591
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NAMES
    SMILES
    CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCN=C(S)Nc4ccc(N=C=S)cc4)cc3)[nH]c2n(CCC)c1=O
    InChI
    InChI=1S/C29H32N8O4S2/c1-3-15-36-26-24(27(39)37(16-4-2)29(36)40)34-25(35-26)19-5-11-22(12-6-19)41-17-23(38)30-13-14-31-28(43)33-21-9-7-20(8-10-21)32-18-42/h5-12H,3-4,13-17H2,1-2H3,(H,30,38)(H,34,35)(H2,31,33,43)
    MOLECULAR FORMULA
    C29H32N8O4S2
    CROSS REFERENCES
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    canSAR168591

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.20
    AlogP 4.00
    HBond donors 3
    HBond acceptors 12
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR168591.