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canSAR347927
FEATURES
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NAMES
    SMILES
    CCOC(=O)CSC(=O)[C@](C)(O)[C@@]12CC/C(C)=C/[C@@H](O)C(=O)/C=C/C=C\c3csc(n3)[C@@H](C)N(C(=O)C1)[S+]2[O-]
    InChI
    InChI=1S/C26H32N2O8S3/c1-5-36-22(32)15-38-24(33)25(4,34)26-11-10-16(2)12-20(30)19(29)9-7-6-8-18-14-37-23(27-18)17(3)28(39(26)35)21(31)13-26/h6-9,12,14,17,20,30,34H,5,10-11,13,15H2,1-4H3/b8-6-,9-7+,16-12+/t17-,20-,25+,26-,39?/m1/s1
    MOLECULAR FORMULA
    C26H32N2O8S3
    CROSS REFERENCES
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    canSAR347927

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 596.13
    AlogP 2.65
    HBond donors 2
    HBond acceptors 10
    Atoms 71
    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 canSAR347927.