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canSAR1092929
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCCN=[N+]=[N-])CNC2=O)cc1Cl
    InChI
    InChI=1S/C38H48ClN5O8/c1-23(2)19-32-38(48)50-30(24(3)34-35(52-34)26-11-6-5-7-12-26)14-10-15-33(45)43-29(21-25-16-17-31(49-4)28(39)20-25)36(46)41-22-27(37(47)51-32)13-8-9-18-42-44-40/h5-7,10-12,15-17,20,23-24,27,29-30,32,34-35H,8-9,13-14,18-19,21-22H2,1-4H3,(H,41,46)(H,43,45)/b15-10+/t24-,27+,29+,30-,32-,34+,35+/m0/s1
    MOLECULAR FORMULA
    C38H48ClN5O8
    CROSS REFERENCES
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    canSAR1092929

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 737.32
    AlogP 6.19
    HBond donors 2
    HBond acceptors 13
    Atoms 100
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1092929.