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canSAR1060140
FEATURES
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NAMES
    SMILES
    Cc1nc(NC2CC2)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1
    InChI
    InChI=1S/C23H30N6O3S/c1-10-16(21-28-17-11(2)24-8-7-15(17)33-21)20(29-22(25-10)26-12-5-6-12)27-14-9-13(23(3,4)32)18(30)19(14)31/h7-8,12-14,18-19,30-32H,5-6,9H2,1-4H3,(H2,25,26,27,29)/t13-,14+,18+,19-/m0/s1
    MOLECULAR FORMULA
    C23H30N6O3S
    CROSS REFERENCES
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    canSAR1060140

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.21
    AlogP 2.63
    HBond donors 5
    HBond acceptors 9
    Atoms 63
    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 canSAR1060140.