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canSAR1126267
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#Cc4cccc(S(=O)(=O)O)c4)nc31)[C@H](O)[C@@H]2O
    InChI
    InChI=1S/C28H25ClN6O6S/c1-30-27(38)28-12-19(28)22(23(36)24(28)37)35-14-32-21-25(31-13-16-5-2-6-17(29)10-16)33-20(34-26(21)35)9-8-15-4-3-7-18(11-15)42(39,40)41/h2-7,10-11,14,19,22-24,36-37H,12-13H2,1H3,(H,30,38)(H,31,33,34)(H,39,40,41)/t19-,22-,23+,24+,28+/m1/s1
    MOLECULAR FORMULA
    C28H25ClN6O6S
    CROSS REFERENCES
    1126267 logo

    canSAR1126267

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 608.12
    AlogP 1.77
    HBond donors 5
    HBond acceptors 12
    Atoms 67
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126267.