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canSAR2094142
FEATURES
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NAMES
    SMILES
    O=S(=O)(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)C1CC1
    InChI
    InChI=1S/C18H20N6O2S2/c25-28(26,13-1-2-13)24-15-9-11(3-7-20-15)17-22-14-5-8-27-16(14)18(23-17)21-12-4-6-19-10-12/h3,5,7-9,12-13,19H,1-2,4,6,10H2,(H,20,24)(H,21,22,23)/t12-/m1/s1
    MOLECULAR FORMULA
    C18H20N6O2S2
    CROSS REFERENCES
    2094142 logo

    canSAR2094142

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.11
    AlogP 2.43
    HBond donors 3
    HBond acceptors 8
    Atoms 48
    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 canSAR2094142.