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canSAR1985516
FEATURES
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NAMES
    SMILES
    CCNc1ccc(C#Cc2c(CC)ncnc2-c2ccc(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(F)c2)cn1
    InChI
    InChI=1S/C30H35FN6O3S/c1-4-27-25(10-7-22-8-12-28(32-5-2)33-20-22)29(35-21-34-27)23-9-11-24(26(31)19-23)30(38)37-16-14-36(15-17-37)13-6-18-41(3,39)40/h8-9,11-12,19-21H,4-6,13-18H2,1-3H3,(H,32,33)
    MOLECULAR FORMULA
    C30H35FN6O3S
    CROSS REFERENCES
    1985516 logo

    canSAR1985516

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 578.25
    AlogP 3.26
    HBond donors 1
    HBond acceptors 9
    Atoms 76
    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 canSAR1985516.