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canSAR1093341
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NAMES
    SMILES
    CC(C)[C@@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1
    InChI
    InChI=1S/C18H25N7O/c1-11(2)14(9-26)22-18-23-16(21-13-5-7-19-8-6-13)15-17(24-18)25(10-20-15)12(3)4/h5-8,10-12,14,26H,9H2,1-4H3,(H2,19,21,22,23,24)/t14-/m1/s1
    MOLECULAR FORMULA
    C18H25N7O
    CROSS REFERENCES
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    canSAR1093341

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.21
    AlogP 2.97
    HBond donors 3
    HBond acceptors 8
    Atoms 51
    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 canSAR1093341.