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canSAR1427281
FEATURES
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NAMES
    SMILES
    CN(C[C@H](Cc1ccccc1)N(C[C@@H](Cc1cccc2ccccc12)N(CCc1ccccc1)N=O)N=O)N=O.[Na+]
    InChI
    InChI=1S/C31H34N6O3.Na/c1-35(32-38)23-29(21-26-13-6-3-7-14-26)37(34-40)24-30(36(33-39)20-19-25-11-4-2-5-12-25)22-28-17-10-16-27-15-8-9-18-31(27)28;/h2-18,29-30H,19-24H2,1H3;/q;+1/t29-,30+;/m0./s1
    MOLECULAR FORMULA
    C31H34N6NaO3+
    CROSS REFERENCES
    1427281 logo

    canSAR1427281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.26
    AlogP 3.19
    HBond donors 0
    HBond acceptors 9
    Atoms 75
    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 canSAR1427281.