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canSAR562560
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)S1.[Cl-]
    InChI
    InChI=1S/C32H55N2O4S.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-26-30-24-31(39-30)27-38-32(36)34(28(3)35)25-29-21-18-19-22-33(29)5-2;/h18-19,21-22,30-31H,4-17,20,23-27H2,1-3H3;1H/q+1;/p-1/t30-,31-;/m1./s1
    MOLECULAR FORMULA
    C32H55ClN2O4S
    CROSS REFERENCES
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    canSAR562560

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.36
    AlogP 4.86
    HBond donors 0
    HBond acceptors 6
    Atoms 95
    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 canSAR562560.