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canSAR65255
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NAMES
    SMILES
    COc1ccccc1CC[C@H](CP(=O)(O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1
    InChI
    InChI=1S/C36H44N3O7P/c1-25(2)23-31(34(41)37-28-14-5-4-6-15-28)38-33(40)27(20-19-26-13-7-10-18-32(26)46-3)24-47(44,45)22-12-11-21-39-35(42)29-16-8-9-17-30(29)36(39)43/h4-10,13-18,25,27,31H,11-12,19-24H2,1-3H3,(H,37,41)(H,38,40)(H,44,45)/t27-,31+/m1/s1
    MOLECULAR FORMULA
    C36H44N3O7P
    CROSS REFERENCES
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    canSAR65255

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 661.29
    AlogP 5.76
    HBond donors 3
    HBond acceptors 10
    Atoms 91
    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 canSAR65255.