canSAR856733
FEATURES
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NAMES
    SMILES
    CNCC(=O)NCc1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1
    InChI
    InChI=1S/C40H54Cl2N4O9/c1-23(2)17-32-38(51)54-30(24(3)36(49)35(42)27-14-11-25(12-15-27)20-44-34(48)21-43-6)9-8-10-33(47)46-29(19-26-13-16-31(53-7)28(41)18-26)37(50)45-22-40(4,5)39(52)55-32/h8,10-16,18,23-24,29-30,32,35-36,43,49H,9,17,19-22H2,1-7H3,(H,44,48)(H,45,50)(H,46,47)/b10-8+/t24-,29+,30-,32-,35-,36+/m0/s1
    MOLECULAR FORMULA
    C40H54Cl2N4O9
    CROSS REFERENCES
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    canSAR856733
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight804.33
    AlogP4.16
    HBond donors5
    HBond acceptors13
    Atoms109
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856733.