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canSAR1139376
FEATURES
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NAMES
    SMILES
    C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p+1/t9-,11-,12-,13?/m1/s1
    MOLECULAR FORMULA
    C14H27N4O11P2+
    CROSS REFERENCES
    1139376 logo

    canSAR1139376

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.11
    AlogP -1.60
    HBond donors 6
    HBond acceptors 15
    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 canSAR1139376.