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canSAR2051943
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NAMES
    SMILES
    Cc1ncccc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
    InChI
    InChI=1S/C27H26N6S/c1-17-22(9-6-12-30-17)23-18(2)34-25-24(23)32-26(20-10-13-29-14-11-20)33-27(25)31-16-21(28)15-19-7-4-3-5-8-19/h3-14,21H,15-16,28H2,1-2H3,(H,31,32,33)/t21-/m0/s1
    MOLECULAR FORMULA
    C27H26N6S
    CROSS REFERENCES
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    canSAR2051943

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.19
    AlogP 5.41
    HBond donors 3
    HBond acceptors 6
    Atoms 60
    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 canSAR2051943.