canSAR820044
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N(CC)CC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC/C=C/c2ccc(-c3ncccn3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C
    InChI
    InChI=1S/C49H72N6O12/c1-13-36-49(10)40(53-46(60)67-49)30(6)37(56)28(4)27-48(9,66-45(59)52-23-16-18-33-19-21-34(22-20-33)42-50-24-17-25-51-42)41(65-44-38(57)35(54(11)12)26-29(5)62-44)31(7)39(32(8)43(58)63-36)64-47(61)55(14-2)15-3/h16-22,24-25,28-32,35-36,38-41,44,57H,13-15,23,26-27H2,1-12H3,(H,52,59)(H,53,60)/b18-16+/t28-,29-,30+,31+,32-,35+,36-,38-,39+,40-,41-,44+,48-,49-/m1/s1
    MOLECULAR FORMULA
    C49H72N6O12
    CROSS REFERENCES
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    canSAR820044
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight936.52
    AlogP6.01
    HBond donors3
    HBond acceptors18
    Atoms139
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820044.