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canSAR2048111
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NAMES
    SMILES
    COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCc1ccc(N(C)C)cc1
    InChI
    InChI=1S/C32H41N3O3/c1-34(2)25-17-14-23(15-18-25)20-21-38-30-22-24(16-19-29(30)37-3)31-27-12-8-9-13-28(27)32(36)35(33-31)26-10-6-4-5-7-11-26/h8-9,14-19,22,26-28H,4-7,10-13,20-21H2,1-3H3/t27-,28+/m0/s1
    MOLECULAR FORMULA
    C32H41N3O3
    CROSS REFERENCES
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    canSAR2048111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.31
    AlogP 6.23
    HBond donors 0
    HBond acceptors 6
    Atoms 79
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2048111.