1267748 logo
canSAR1267748
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1c2cc[n+](C)cc2c(C)c2c3c([nH]c12)C=CC(=O)[C@]31O[C@@H]2[C@@H](COP(=O)(O)O)O[C@@H](n3cnc4c(O)nc(N)nc43)[C@@H]2O1
    InChI
    InChI=1S/C28H26N7O9P/c1-11-14-8-34(3)7-6-13(14)12(2)20-18(11)19-15(31-20)4-5-17(36)28(19)43-22-16(9-41-45(38,39)40)42-26(23(22)44-28)35-10-30-21-24(35)32-27(29)33-25(21)37/h4-8,10,16,22-23,26H,9H2,1-3H3,(H5,29,32,33,37,38,39,40)/p+1/t16-,22-,23-,26-,28-/m1/s1
    MOLECULAR FORMULA
    C28H27N7O9P+
    CROSS REFERENCES
    1267748 logo

    canSAR1267748

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 636.16
    AlogP 1.43
    HBond donors 6
    HBond acceptors 16
    Atoms 72
    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 canSAR1267748.