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canSAR1646706
FEATURES
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NAMES
    SMILES
    CC(C)Oc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2[nH]c2ccccc12.Cl
    InChI
    InChI=1S/C23H23N3O3S.ClH/c1-15(2)29-22-14-16(26-30(3,27)28)12-13-21(22)25-23-17-8-4-6-10-19(17)24-20-11-7-5-9-18(20)23;/h4-15,26H,1-3H3,(H,24,25);1H
    MOLECULAR FORMULA
    C23H24ClN3O3S
    CROSS REFERENCES
    1646706 logo

    canSAR1646706

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.12
    AlogP 5.13
    HBond donors 2
    HBond acceptors 6
    Atoms 55
    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 canSAR1646706.