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canSAR829053
FEATURES
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NAMES
    SMILES
    Cc1cc(C(=O)N[C@@H]2[C@@H](C/C=C/CCCC(=O)O)C[C@H]3C[C@@H]2C3(C)C)cs1
    InChI
    InChI=1S/C22H31NO3S/c1-14-10-16(13-27-14)21(26)23-20-15(8-6-4-5-7-9-19(24)25)11-17-12-18(20)22(17,2)3/h4,6,10,13,15,17-18,20H,5,7-9,11-12H2,1-3H3,(H,23,26)(H,24,25)/b6-4+/t15-,17-,18-,20+/m0/s1
    MOLECULAR FORMULA
    C22H31NO3S
    CROSS REFERENCES
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    canSAR829053

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.20
    AlogP 5.04
    HBond donors 2
    HBond acceptors 4
    Atoms 58
    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 canSAR829053.