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canSAR1401204
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCn1n[n+](C)c2c1C(=O)c1ccccc1C2=O.[Cl-]
    InChI
    InChI=1S/C27H40N3O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25-24(29(2)28-30)26(31)22-19-16-17-20-23(22)27(25)32;/h16-17,19-20H,3-15,18,21H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C27H40ClN3O2
    CROSS REFERENCES
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    canSAR1401204

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.28
    AlogP 2.97
    HBond donors 0
    HBond acceptors 5
    Atoms 73
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1401204.