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canSAR151414
FEATURES
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NAMES
    SMILES
    CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C28H28N4O4S/c1-20(2)23-5-3-4-6-25(23)37-26-9-7-21(19-24(26)32(35)36)8-10-27(33)30-15-17-31(18-16-30)28(34)22-11-13-29-14-12-22/h3-14,19-20H,15-18H2,1-2H3/b10-8+
    MOLECULAR FORMULA
    C28H28N4O4S
    CROSS REFERENCES
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    canSAR151414

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.18
    AlogP 5.26
    HBond donors 0
    HBond acceptors 8
    Atoms 65
    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 canSAR151414.