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canSAR1991344
FEATURES
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NAMES
    SMILES
    CSCCC(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]21C)C(=O)O
    InChI
    InChI=1S/C30H41NO9S/c1-28-11-8-18(32)14-17(28)4-5-19-20-9-12-30(39,29(20,2)15-22(33)26(19)28)23(34)16-40-25(36)7-6-24(35)31-21(27(37)38)10-13-41-3/h8,11,14,19-22,26,33,39H,4-7,9-10,12-13,15-16H2,1-3H3,(H,31,35)(H,37,38)/t19-,20?,21?,22-,26?,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C30H41NO9S
    CROSS REFERENCES
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    canSAR1991344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.25
    AlogP 2.21
    HBond donors 4
    HBond acceptors 10
    Atoms 82
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1991344.