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canSAR84313
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NAMES
    SMILES
    C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCNC2=O)cc1
    InChI
    InChI=1S/C18H21N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)(H2,20,21,22,24)/t11-/m1/s1
    MOLECULAR FORMULA
    C18H21N5O2
    CROSS REFERENCES
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    canSAR84313

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 339.17
    AlogP 2.56
    HBond donors 3
    HBond acceptors 7
    Atoms 46
    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 canSAR84313.