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canSAR1208680
FEATURES
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NAMES
    SMILES
    O=P1(O)OC[C@H]2O[C@@H](n3c(Br)nc4c(NCc5ccccc5)ncnc43)[C@H](O)[C@@H]2O1
    InChI
    InChI=1S/C17H17BrN5O6P/c18-17-22-11-14(19-6-9-4-2-1-3-5-9)20-8-21-15(11)23(17)16-12(24)13-10(28-16)7-27-30(25,26)29-13/h1-5,8,10,12-13,16,24H,6-7H2,(H,25,26)(H,19,20,21)/t10-,12-,13-,16-/m1/s1
    MOLECULAR FORMULA
    C17H17BrN5O6P
    CROSS REFERENCES
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    canSAR1208680

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.01
    AlogP 1.98
    HBond donors 3
    HBond acceptors 11
    Atoms 47
    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 canSAR1208680.