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canSAR836212
FEATURES
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NAMES
    SMILES
    C=C(C)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(SC)cc3)OC[C@@]21C
    InChI
    InChI=1S/C28H34O3S/c1-17(2)28(30)14-13-24-23-11-7-19-15-20(29)8-12-22(19)25(23)26(31-16-27(24,28)3)18-5-9-21(32-4)10-6-18/h5-6,9-10,15,23-24,26,30H,1,7-8,11-14,16H2,2-4H3/t23-,24-,26+,27-,28+/m0/s1
    MOLECULAR FORMULA
    C28H34O3S
    CROSS REFERENCES
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    canSAR836212

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.22
    AlogP 6.20
    HBond donors 1
    HBond acceptors 3
    Atoms 66
    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 canSAR836212.