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canSAR4988
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCOCC(COP(=O)(O)Oc1cccc(Cn2ccnc2)c1)OC
    InChI
    InChI=1S/C30H51N2O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-36-25-30(35-2)26-37-39(33,34)38-29-19-17-18-28(23-29)24-32-21-20-31-27-32/h17-21,23,27,30H,3-16,22,24-26H2,1-2H3,(H,33,34)
    MOLECULAR FORMULA
    C30H51N2O6P
    CROSS REFERENCES
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    canSAR4988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.35
    AlogP 7.94
    HBond donors 1
    HBond acceptors 8
    Atoms 90
    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 canSAR4988.