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canSAR1616276
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NAMES
    SMILES
    Cc1cc2c(cc1C)C[C@H](NCCC(c1ccccc1)c1ccccc1)[C@@H](O)C2.Cl
    InChI
    InChI=1S/C27H31NO.ClH/c1-19-15-23-17-26(27(29)18-24(23)16-20(19)2)28-14-13-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22;/h3-12,15-16,25-29H,13-14,17-18H2,1-2H3;1H/t26-,27-;/m0./s1
    MOLECULAR FORMULA
    C27H32ClNO
    CROSS REFERENCES
    1616276 logo

    canSAR1616276

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.22
    AlogP 5.37
    HBond donors 2
    HBond acceptors 2
    Atoms 62
    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 canSAR1616276.