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canSAR843000
FEATURES
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NAMES
    SMILES
    CC1(C)SCC(CCC(=O)Nc2ccc3c(c2)CO[C@H](C(=O)O)C3)S1
    InChI
    InChI=1S/C18H23NO4S2/c1-18(2)24-10-14(25-18)5-6-16(20)19-13-4-3-11-8-15(17(21)22)23-9-12(11)7-13/h3-4,7,14-15H,5-6,8-10H2,1-2H3,(H,19,20)(H,21,22)/t14?,15-/m0/s1
    MOLECULAR FORMULA
    C18H23NO4S2
    CROSS REFERENCES
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    canSAR843000

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.11
    AlogP 3.52
    HBond donors 2
    HBond acceptors 5
    Atoms 48
    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 canSAR843000.