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canSAR1126203
FEATURES
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NAMES
    SMILES
    CCOC(=O)CNC(=O)[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(=O)c3ccc(C#N)cc3)C[C@H]21
    InChI
    InChI=1S/C39H41N3O11/c1-6-49-30(44)20-42-36(48)38(4)27-17-29(52-34(46)23-11-9-22(18-40)10-12-23)39(5)33(37(27,3)14-13-28(38)50-21(2)43)32(45)31-26(53-39)16-25(51-35(31)47)24-8-7-15-41-19-24/h7-12,15-16,19,27-29,32-33,45H,6,13-14,17,20H2,1-5H3,(H,42,48)/t27-,28+,29+,32+,33-,37+,38+,39-/m1/s1
    MOLECULAR FORMULA
    C39H41N3O11
    CROSS REFERENCES
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    canSAR1126203

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 727.27
    AlogP 4.04
    HBond donors 2
    HBond acceptors 14
    Atoms 94
    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 canSAR1126203.