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canSAR1685196
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NAMES
    SMILES
    COc1cccc(-n2c(SCC(=O)NC3CCCCC3)nc3nnc(C)c-3c2N)c1
    InChI
    InChI=1S/C21H26N6O2S/c1-13-18-19(22)27(15-9-6-10-16(11-15)29-2)21(24-20(18)26-25-13)30-12-17(28)23-14-7-4-3-5-8-14/h6,9-11,14H,3-5,7-8,12,22H2,1-2H3,(H,23,28)
    MOLECULAR FORMULA
    C21H26N6O2S
    CROSS REFERENCES
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    canSAR1685196

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.18
    AlogP 3.21
    HBond donors 3
    HBond acceptors 8
    Atoms 56
    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 canSAR1685196.