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canSAR1434240
FEATURES
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NAMES
    SMILES
    CC1CCCN(CCSc2ccc(Cl)cc2)C1.O=C(O)C(=O)O
    InChI
    InChI=1S/C14H20ClNS.C2H2O4/c1-12-3-2-8-16(11-12)9-10-17-14-6-4-13(15)5-7-14;3-1(4)2(5)6/h4-7,12H,2-3,8-11H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C16H22ClNO4S
    CROSS REFERENCES
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    canSAR1434240

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.10
    AlogP 3.32
    HBond donors 2
    HBond acceptors 5
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1434240.