canSAR545961
FEATURES
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NAMES
    SMILES
    CC(=O)O.CCN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1
    InChI
    InChI=1S/C26H36N8O6.C2H4O2/c1-2-33(16-18-6-3-4-8-22(18)34(39)40)23(36)15-31-25(38)21(7-5-13-30-26(28)29)32-24(37)20(27)14-17-9-11-19(35)12-10-17;1-2(3)4/h3-4,6,8-12,20-21,35H,2,5,7,13-16,27H2,1H3,(H,31,38)(H,32,37)(H4,28,29,30);1H3,(H,3,4)/t20-,21+;/m0./s1
    MOLECULAR FORMULA
    C28H40N8O8
    CROSS REFERENCES
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    canSAR545961
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight616.30
    AlogP-0.04
    HBond donors10
    HBond acceptors16
    Atoms84
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545961.