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canSAR660838
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NAMES
    SMILES
    CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccccc3)c1)CC2.Cl
    InChI
    InChI=1S/C33H45N3O3.ClH/c1-2-3-20-36-31(37)30(25-26-11-6-4-7-12-26)34-32(38)33(36)18-22-35(23-19-33)21-17-27-13-10-16-29(24-27)39-28-14-8-5-9-15-28;/h5,8-10,13-16,24,26,30H,2-4,6-7,11-12,17-23,25H2,1H3,(H,34,38);1H/t30-;/m0./s1
    MOLECULAR FORMULA
    C33H46ClN3O3
    CROSS REFERENCES
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    canSAR660838

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.32
    AlogP 6.38
    HBond donors 1
    HBond acceptors 6
    Atoms 86
    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 canSAR660838.