canSAR108769
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(NC(=N)N)cc2)C1)C(=O)O
    InChI
    InChI=1S/C25H34N6O7/c1-14(2)21(24(37)38)30-23(36)18(12-20(33)34)29-22(35)16-4-3-11-31(13-16)19(32)10-7-15-5-8-17(9-6-15)28-25(26)27/h5-10,14,16,18,21H,3-4,11-13H2,1-2H3,(H,29,35)(H,30,36)(H,33,34)(H,37,38)(H4,26,27,28)/b10-7+/t16-,18+,21+/m1/s1
    MOLECULAR FORMULA
    C25H34N6O7
    CROSS REFERENCES
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    canSAR108769
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight530.25
    AlogP0.43
    HBond donors8
    HBond acceptors13
    Atoms72
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR108769.