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canSAR1769022
FEATURES
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NAMES
    SMILES
    Cc1cc(-c2noc(/C=C/C3(c4ccc(Cl)cc4)CCCCC3)n2)cc(C)c1OC[C@@H](O)CO
    InChI
    InChI=1S/C27H31ClN2O4/c1-18-14-20(15-19(2)25(18)33-17-23(32)16-31)26-29-24(34-30-26)10-13-27(11-4-3-5-12-27)21-6-8-22(28)9-7-21/h6-10,13-15,23,31-32H,3-5,11-12,16-17H2,1-2H3/b13-10+/t23-/m0/s1
    MOLECULAR FORMULA
    C27H31ClN2O4
    CROSS REFERENCES
    1769022 logo

    canSAR1769022

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.20
    AlogP 5.65
    HBond donors 2
    HBond acceptors 6
    Atoms 65
    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 canSAR1769022.