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canSAR552620
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](CCN(C)C3CCCCC3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O.Cl
    InChI
    InChI=1S/C30H37NO7.ClH/c1-31(18-7-5-4-6-8-18)10-9-19-20-13-23-24(38-16-37-23)14-21(20)27(28-22(19)15-36-30(28)33)17-11-25(34-2)29(32)26(12-17)35-3;/h11-14,18-19,22,27-28,32H,4-10,15-16H2,1-3H3;1H/t19-,22?,27-,28+;/m1./s1
    MOLECULAR FORMULA
    C30H38ClNO7
    CROSS REFERENCES
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    canSAR552620

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 559.23
    AlogP 5.23
    HBond donors 1
    HBond acceptors 8
    Atoms 77
    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 canSAR552620.