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canSAR561199
FEATURES
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NAMES
    SMILES
    C=C1C(O)C(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC1n1ccc(N)nc1=O.[Na+]
    InChI
    InChI=1S/C45H80N3O11P.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-41(49)55-34-38(58-42(50)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-56-60(53,54)57-36-39-43(51)37(3)44(59-39)48-33-32-40(46)47-45(48)52;/h32-33,38-39,43-44,51H,3-31,34-36H2,1-2H3,(H,53,54)(H2,46,47,52);/q;+1/p-1
    MOLECULAR FORMULA
    C45H79N3NaO11P
    CROSS REFERENCES
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    canSAR561199

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 891.53
    AlogP 6.56
    HBond donors 3
    HBond acceptors 14
    Atoms 140
    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 canSAR561199.