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canSAR560141
FEATURES
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NAMES
    SMILES
    COc1ccc(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)cc1.[Na+]
    InChI
    InChI=1S/C35H39FN2O6.Na/c1-22(2)38-30(18-15-27(39)19-28(40)20-31(41)42)32(25-11-13-26(36)14-12-25)33(24-7-5-4-6-8-24)34(38)35(43)37-21-23-9-16-29(44-3)17-10-23;/h4-14,16-17,22,27-28,39-40H,15,18-21H2,1-3H3,(H,37,43)(H,41,42);/q;+1/p-1/t27-,28-;/m1./s1
    MOLECULAR FORMULA
    C35H38FN2NaO6
    CROSS REFERENCES
    560141 logo

    canSAR560141

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.26
    AlogP 1.67
    HBond donors 3
    HBond acceptors 8
    Atoms 83
    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 canSAR560141.