canSAR2158522
FEATURES
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NAMES
    SMILES
    COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1
    InChI
    InChI=1S/C25H35N7O3S/c1-17-13-18-15-26-24(30-22(18)23(28-17)27-16-25(2,3)4)29-20-8-7-19(14-21(20)35-5)31-9-11-32(12-10-31)36(6,33)34/h7-8,13-15H,9-12,16H2,1-6H3,(H,27,28)(H,26,29,30)
    MOLECULAR FORMULA
    C25H35N7O3S
    CROSS REFERENCES
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    canSAR2158522
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight513.25
    AlogP3.63
    HBond donors2
    HBond acceptors10
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2158522.