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canSAR106003
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NAMES
    SMILES
    COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)O)P(=O)(O)O)c1OC
    InChI
    InChI=1S/C26H28NO8P/c1-33-22-9-5-6-17(25(22)34-2)11-13-24(36(30,31)32)27-20(26(28)29)14-16-10-12-19-18-7-3-4-8-21(18)35-23(19)15-16/h3-10,12,15,20,24,27H,11,13-14H2,1-2H3,(H,28,29)(H2,30,31,32)/t20-,24?/m0/s1
    MOLECULAR FORMULA
    C26H28NO8P
    CROSS REFERENCES
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    canSAR106003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.16
    AlogP 4.33
    HBond donors 4
    HBond acceptors 9
    Atoms 64
    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 canSAR106003.