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canSAR1429813
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]2Oc3nc(=N)ccn3[C@@H]2O[C@@H]1COP(=O)(O)OCC
    InChI
    InChI=1S/C27H46N3O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)37-24-21(20-35-39(32,33)34-4-2)36-26-25(24)38-27-29-22(28)18-19-30(26)27/h18-19,21,24-26,28H,3-17,20H2,1-2H3,(H,32,33)/t21-,24-,25+,26-/m1/s1
    MOLECULAR FORMULA
    C27H46N3O8P
    CROSS REFERENCES
    1429813 logo

    canSAR1429813

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.30
    AlogP 5.57
    HBond donors 2
    HBond acceptors 11
    Atoms 85
    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 canSAR1429813.