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canSAR1125660
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NAMES
    SMILES
    CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(S(=O)(=O)O)cc4)nc(C#Cc4ccccc4)nc31)[C@H](O)[C@@H]2O
    InChI
    InChI=1S/C29H28N6O6S/c1-30-28(38)29-15-20(29)23(24(36)25(29)37)35-16-32-22-26(31-14-13-18-7-10-19(11-8-18)42(39,40)41)33-21(34-27(22)35)12-9-17-5-3-2-4-6-17/h2-8,10-11,16,20,23-25,36-37H,13-15H2,1H3,(H,30,38)(H,31,33,34)(H,39,40,41)/t20-,23-,24+,25+,29+/m1/s1
    MOLECULAR FORMULA
    C29H28N6O6S
    CROSS REFERENCES
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    canSAR1125660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 588.18
    AlogP 1.16
    HBond donors 5
    HBond acceptors 12
    Atoms 70
    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 canSAR1125660.