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canSAR653392
FEATURES
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NAMES
    SMILES
    Cc1ccc(CNC(=O)[C@H]2S[C@@H](n3cnc4c(NCc5cccc(I)c5)ncnc43)[C@H](O)[C@@H]2O)cc1
    InChI
    InChI=1S/C25H25IN6O3S/c1-14-5-7-15(8-6-14)10-28-24(35)21-19(33)20(34)25(36-21)32-13-31-18-22(29-12-30-23(18)32)27-11-16-3-2-4-17(26)9-16/h2-9,12-13,19-21,25,33-34H,10-11H2,1H3,(H,28,35)(H,27,29,30)/t19-,20+,21-,25+/m0/s1
    MOLECULAR FORMULA
    C25H25IN6O3S
    CROSS REFERENCES
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    canSAR653392

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.08
    AlogP 3.00
    HBond donors 4
    HBond acceptors 9
    Atoms 61
    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 canSAR653392.