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canSAR1590704
FEATURES
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NAMES
    SMILES
    CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC/N=C(\N)N[N+](=O)[O-])C(=O)NC1CCCc2ccccc21)C(C)C.O=CO
    InChI
    InChI=1S/C25H40N8O5.CH2O2/c1-15(2)21(31-22(34)16(3)27-4)24(36)30-20(13-8-14-28-25(26)32-33(37)38)23(35)29-19-12-7-10-17-9-5-6-11-18(17)19;2-1-3/h5-6,9,11,15-16,19-21,27H,7-8,10,12-14H2,1-4H3,(H,29,35)(H,30,36)(H,31,34)(H3,26,28,32);1H,(H,2,3)/t16-,19?,20-,21-;/m0./s1
    MOLECULAR FORMULA
    C26H42N8O7
    CROSS REFERENCES
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    canSAR1590704

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 578.32
    AlogP -0.01
    HBond donors 8
    HBond acceptors 15
    Atoms 83
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1590704.