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canSAR560672
FEATURES
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NAMES
    SMILES
    COc1c(O)cc2cc1Oc1ccc(cc1[N+](=O)[O-])C[C@@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC2[C@@H](NC(C)=O)C(=O)O
    InChI
    InChI=1S/C36H42N6O11/c1-18(2)12-23(37)33(45)39-25-14-21-10-11-28(26(15-21)42(50)51)53-29-17-22(16-27(44)32(29)52-4)30(31(36(48)49)38-19(3)43)41-35(47)24(40-34(25)46)13-20-8-6-5-7-9-20/h5-11,15-18,23-25,30-31,44H,12-14,37H2,1-4H3,(H,38,43)(H,39,45)(H,40,46)(H,41,47)(H,48,49)/t23-,24+,25-,30?,31-/m1/s1
    MOLECULAR FORMULA
    C36H42N6O11
    CROSS REFERENCES
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    canSAR560672

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 734.29
    AlogP 1.99
    HBond donors 8
    HBond acceptors 17
    Atoms 95
    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 canSAR560672.