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canSAR1970140
FEATURES
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NAMES
    SMILES
    CN(C[C@H](Cc1ccccc1)N(C[C@H](c1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O.[Na+]
    InChI
    InChI=1S/C26H30N6O3.Na/c1-30(27-33)20-25(19-23-13-7-3-8-14-23)32(29-35)21-26(24-15-9-4-10-16-24)31(28-34)18-17-22-11-5-2-6-12-22;/h2-16,25-26H,17-21H2,1H3;/q;+1/t25-,26+;/m0./s1
    MOLECULAR FORMULA
    C26H30N6NaO3+
    CROSS REFERENCES
    1970140 logo

    canSAR1970140

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.23
    AlogP 2.17
    HBond donors 0
    HBond acceptors 9
    Atoms 66
    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 canSAR1970140.