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canSAR1063141
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NAMES
    SMILES
    Cc1nnc(C)c2cc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)ccc12
    InChI
    InChI=1S/C27H34N6O2/c1-17-15-32(20-8-9-21-18(2)30-31-19(3)24(21)14-20)12-13-33(17)26(35)23-7-5-4-6-22(23)25(34)29-27(16-28)10-11-27/h8-9,14,17,22-23H,4-7,10-13,15H2,1-3H3,(H,29,34)/t17-,22-,23-/m1/s1
    MOLECULAR FORMULA
    C27H34N6O2
    CROSS REFERENCES
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    canSAR1063141

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.27
    AlogP 3.26
    HBond donors 1
    HBond acceptors 8
    Atoms 69
    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 canSAR1063141.