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canSAR1428891
FEATURES
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NAMES
    SMILES
    CCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)c3ccc(C)cc3)cc2)OP(=O)([O-])OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1.[NH4+]
    InChI
    InChI=1S/C37H40N2O14P2.H3N/c1-4-5-6-34(40)51-30-15-9-27(10-16-30)22-48-55(46,49-23-28-11-17-31(18-12-28)52-36(42)29-13-7-25(2)8-14-29)53-54(44,45)47-24-32-19-20-33(50-32)39-21-26(3)35(41)38-37(39)43;/h7-21,32-33H,4-6,22-24H2,1-3H3,(H,44,45)(H,38,41,43);1H3/t32-,33+,55?;/m0./s1
    MOLECULAR FORMULA
    C37H43N3O14P2
    CROSS REFERENCES
    1428891 logo

    canSAR1428891

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 815.22
    AlogP 6.34
    HBond donors 5
    HBond acceptors 17
    Atoms 99
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1428891.