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canSAR672435
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C
    InChI
    InChI=1S/C37H64N12O10/c1-18(2)12-25(31(53)43-21(7)30(52)45-24(36(58)59)10-9-11-41-37(38)39)46-32(54)26(13-19(3)4)48-35(57)29(20(5)6)49-33(55)27(14-23-15-40-17-42-23)47-34(56)28(16-50)44-22(8)51/h15,17-21,24-29,50H,9-14,16H2,1-8H3,(H,40,42)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,47,56)(H,48,57)(H,49,55)(H,58,59)(H4,38,39,41)/t21-,24-,25-,26-,27-,28-,29-/m0/s1
    MOLECULAR FORMULA
    C37H64N12O10
    CROSS REFERENCES
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    canSAR672435

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 836.49
    AlogP -2.53
    HBond donors 14
    HBond acceptors 22
    Atoms 123
    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 canSAR672435.