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canSAR1156723
FEATURES
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NAMES
    SMILES
    C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C
    InChI
    InChI=1S/C38H54BrN5O6/c1-9-12-27-13-15-28(16-14-27)24-38(49,35(47)41-31(26(3)4)33(45)40-22-10-2)21-11-23-44(25-29-17-19-30(39)20-18-29)43-34(46)32(37(5,6)7)42-36(48)50-8/h9-10,13-20,26,31-32,49H,1-2,11-12,21-25H2,3-8H3,(H,40,45)(H,41,47)(H,42,48)(H,43,46)/t31-,32+,38+/m0/s1
    MOLECULAR FORMULA
    C38H54BrN5O6
    CROSS REFERENCES
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    canSAR1156723

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 755.33
    AlogP 4.98
    HBond donors 5
    HBond acceptors 11
    Atoms 104
    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 canSAR1156723.