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canSAR660552
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1.Cl
    InChI
    InChI=1S/C30H33NO4.ClH/c1-31-25(20-28(32)22-10-5-3-6-11-22)14-9-15-26(31)21-29(23-12-7-4-8-13-23)35-30(33)24-16-18-27(34-2)19-17-24;/h3-8,10-13,16-19,25-26,29H,9,14-15,20-21H2,1-2H3;1H/t25-,26+,29+;/m1./s1
    MOLECULAR FORMULA
    C30H34ClNO4
    CROSS REFERENCES
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    canSAR660552

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.22
    AlogP 6.53
    HBond donors 0
    HBond acceptors 5
    Atoms 70
    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 canSAR660552.