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canSAR562156
FEATURES
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NAMES
    SMILES
    COc1ccc2nccc([C@H](O)CN3CCC(NCc4nc5c([N+](=O)[O-])cccc5[nH]4)CC3)c2c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C25H28N6O4.C2H2O4/c1-35-17-5-6-20-19(13-17)18(7-10-26-20)23(32)15-30-11-8-16(9-12-30)27-14-24-28-21-3-2-4-22(31(33)34)25(21)29-24;3-1(4)2(5)6/h2-7,10,13,16,23,27,32H,8-9,11-12,14-15H2,1H3,(H,28,29);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C27H30N6O8
    CROSS REFERENCES
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    canSAR562156

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.21
    AlogP 2.47
    HBond donors 5
    HBond acceptors 14
    Atoms 71
    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 canSAR562156.