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canSAR2052065
FEATURES
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NAMES
    SMILES
    O=c1c2c3c(sc2ncn1/N=C/c1ccc(O)cc1)CN(Cc1ccccc1)CC3
    InChI
    InChI=1S/C23H20N4O2S/c28-18-8-6-16(7-9-18)12-25-27-15-24-22-21(23(27)29)19-10-11-26(14-20(19)30-22)13-17-4-2-1-3-5-17/h1-9,12,15,28H,10-11,13-14H2/b25-12+
    MOLECULAR FORMULA
    C23H20N4O2S
    CROSS REFERENCES
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    canSAR2052065

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.13
    AlogP 3.60
    HBond donors 1
    HBond acceptors 6
    Atoms 50
    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 canSAR2052065.