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canSAR788080
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OP(=O)(O)O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OP(=O)(O)O)CC[C@@H]12
    InChI
    InChI=1S/C19H28O9P2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(23,24)25)4-3-11-9-17(27-29(20,21)22)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,21,22)(H2,23,24,25)/t12-,13+,15-,18-,19-/m0/s1
    MOLECULAR FORMULA
    C19H28O9P2
    CROSS REFERENCES
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    canSAR788080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.12
    AlogP 3.50
    HBond donors 4
    HBond acceptors 9
    Atoms 58
    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 canSAR788080.