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canSAR1966943
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NAMES
    SMILES
    C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cscn3)n[nH]c2C1(C)C
    InChI
    InChI=1S/C20H27N7O2S/c1-12-7-25-6-4-5-13(25)8-26(12)19(29)27-9-14-16(20(27,2)3)23-24-17(14)22-18(28)15-10-30-11-21-15/h10-13H,4-9H2,1-3H3,(H2,22,23,24,28)/t12-,13-/m0/s1
    MOLECULAR FORMULA
    C20H27N7O2S
    CROSS REFERENCES
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    canSAR1966943

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.19
    AlogP 2.46
    HBond donors 2
    HBond acceptors 9
    Atoms 57
    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 canSAR1966943.