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canSAR1126883
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NAMES
    SMILES
    O=C1c2oc(-c3ccc(Cl)cc3)cc2Cc2cc(N3CCNCC3)ccc2N1CC1CC1
    InChI
    InChI=1S/C26H26ClN3O2/c27-21-5-3-18(4-6-21)24-15-20-13-19-14-22(29-11-9-28-10-12-29)7-8-23(19)30(16-17-1-2-17)26(31)25(20)32-24/h3-8,14-15,17,28H,1-2,9-13,16H2
    MOLECULAR FORMULA
    C26H26ClN3O2
    CROSS REFERENCES
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    canSAR1126883

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.17
    AlogP 4.97
    HBond donors 1
    HBond acceptors 5
    Atoms 58
    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 canSAR1126883.