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canSAR561699
FEATURES
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NAMES
    SMILES
    CC(CCC(C)C(C)(C)C)C1CCC2C3C[C@H](OS(=O)(=O)O)C4C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC4(C)C3CCC12C
    InChI
    InChI=1S/C29H52O12S3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17?,18?,19?,20?,21?,22?,23?,24-,25-,26-,28?,29?/m0/s1
    MOLECULAR FORMULA
    C29H52O12S3
    CROSS REFERENCES
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    canSAR561699

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 688.26
    AlogP 5.53
    HBond donors 3
    HBond acceptors 12
    Atoms 96
    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 canSAR561699.