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canSAR1688673
FEATURES
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NAMES
    SMILES
    Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c12
    InChI
    InChI=1S/C25H29FN6O2S/c1-16-20-22(29-15-30-24(20)35-21(16)23(33)28-11-4-12-32(2)3)31-18-6-5-17(26)13-19(18)34-14-25(7-8-25)9-10-27/h5-6,13,15H,4,7-9,11-12,14H2,1-3H3,(H,28,33)(H,29,30,31)
    MOLECULAR FORMULA
    C25H29FN6O2S
    CROSS REFERENCES
    1688673 logo

    canSAR1688673

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.21
    AlogP 4.64
    HBond donors 2
    HBond acceptors 8
    Atoms 64
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688673.