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canSAR551518
FEATURES
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NAMES
    SMILES
    Cl.O=C(O)[C@@H]1CCCN(CCC=C(c2sccc2COCc2ccccc2)c2sccc2COCc2ccccc2)C1
    InChI
    InChI=1S/C34H37NO4S2.ClH/c36-34(37)28-13-7-17-35(21-28)18-8-14-31(32-29(15-19-40-32)24-38-22-26-9-3-1-4-10-26)33-30(16-20-41-33)25-39-23-27-11-5-2-6-12-27;/h1-6,9-12,14-16,19-20,28H,7-8,13,17-18,21-25H2,(H,36,37);1H/t28-;/m1./s1
    MOLECULAR FORMULA
    C34H38ClNO4S2
    CROSS REFERENCES
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    canSAR551518

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 623.19
    AlogP 8.28
    HBond donors 1
    HBond acceptors 5
    Atoms 80
    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 canSAR551518.