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canSAR159001
FEATURES
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NAMES
    SMILES
    CNC1CCN(C(=O)c2ccc(-c3[nH]nc4c3C(=O)c3c(NC(=O)NN5CCOCC5)cccc3-4)s2)C1
    InChI
    InChI=1S/C25H27N7O4S/c1-26-14-7-8-31(13-14)24(34)18-6-5-17(37-18)22-20-21(28-29-22)15-3-2-4-16(19(15)23(20)33)27-25(35)30-32-9-11-36-12-10-32/h2-6,14,26H,7-13H2,1H3,(H,28,29)(H2,27,30,35)
    MOLECULAR FORMULA
    C25H27N7O4S
    CROSS REFERENCES
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    canSAR159001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 521.18
    AlogP 2.15
    HBond donors 4
    HBond acceptors 11
    Atoms 64
    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 canSAR159001.