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canSAR1131752
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O
    InChI
    InChI=1S/C36H61N13O9/c1-19(2)12-24-32(55)45-22(9-7-11-41-36(38)39)30(53)42-17-28(50)44-26(14-21-16-40-18-43-21)34(57)49-27(15-29(51)52)35(58)46-23(8-5-6-10-37)31(54)47-25(13-20(3)4)33(56)48-24/h16,18-20,22-27H,5-15,17,37H2,1-4H3,(H,40,43)(H,42,53)(H,44,50)(H,45,55)(H,46,58)(H,47,54)(H,48,56)(H,49,57)(H,51,52)(H4,38,39,41)/t22-,23-,24-,25-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C36H61N13O9
    CROSS REFERENCES
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    canSAR1131752

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 819.47
    AlogP -3.05
    HBond donors 15
    HBond acceptors 22
    Atoms 119
    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 canSAR1131752.