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canSAR1144180
FEATURES
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NAMES
    SMILES
    C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O
    InChI
    InChI=1S/C29H40O7S/c1-17-13-19(3)26(20(4)14-17)37(33,34)36-16-29(6)24-10-7-18(2)22(28(24,5)12-11-25(29)31)9-8-21-23(30)15-35-27(21)32/h8,13-14,22-25,30-31H,2,7,9-12,15-16H2,1,3-6H3/b21-8+/t22-,23-,24+,25-,28+,29+/m1/s1
    MOLECULAR FORMULA
    C29H40O7S
    CROSS REFERENCES
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    canSAR1144180

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 532.25
    AlogP 4.30
    HBond donors 2
    HBond acceptors 7
    Atoms 77
    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 canSAR1144180.