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canSAR1145022
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NAMES
    SMILES
    Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccc(CC(=O)O)cc3)cc1)C2=O
    InChI
    InChI=1S/C29H31N3O3/c1-21-3-2-15-30-26(21)20-31-16-12-29(13-17-31)14-18-32(28(29)35)25-10-8-24(9-11-25)23-6-4-22(5-7-23)19-27(33)34/h2-11,15H,12-14,16-20H2,1H3,(H,33,34)
    MOLECULAR FORMULA
    C29H31N3O3
    CROSS REFERENCES
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    canSAR1145022

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.24
    AlogP 4.70
    HBond donors 1
    HBond acceptors 6
    Atoms 66
    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 canSAR1145022.