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canSAR1126602
FEATURES
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NAMES
    SMILES
    O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1
    InChI
    InChI=1S/C26H31ClN2O6/c27-18-1-4-23-17(11-18)13-26(35-23)6-9-28(10-7-26)14-21(32)16-34-24-12-19(30)2-3-22(24)25(33)29-8-5-20(31)15-29/h1-4,11-12,20-21,30-32H,5-10,13-16H2/t20-,21-/m0/s1
    MOLECULAR FORMULA
    C26H31ClN2O6
    CROSS REFERENCES
    1126602 logo

    canSAR1126602

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.19
    AlogP 2.46
    HBond donors 3
    HBond acceptors 8
    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 canSAR1126602.