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canSAR1651144
FEATURES
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NAMES
    SMILES
    CO[C@@H]1[C@@H](COS(=O)(=O)[O-])O[C@H](O[C@@H]2[C@@H](C(=O)[O-])O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc3cccc(NC(=O)CCCCC4CCSS4)c3)[C@H](O)[C@H]2O)[C@H](N)[C@H]1O
    InChI
    InChI=1S/C33H53N3O19S3/c1-50-28-20(14-52-58(47,48)49)53-32(22(34)25(28)42)54-29-26(43)27(44)33(55-30(29)31(45)46)51-13-19(38)24(41)23(40)18(37)12-35-15-5-4-6-16(11-15)36-21(39)8-3-2-7-17-9-10-56-57-17/h4-6,11,17-20,22-30,32-33,35,37-38,40-44H,2-3,7-10,12-14,34H2,1H3,(H,36,39)(H,45,46)(H,47,48,49)/p-2/t17?,18-,19+,20+,22+,23+,24+,25+,26+,27+,28+,29-,30-,32+,33+/m0/s1
    MOLECULAR FORMULA
    C33H51N3O19S3-2
    CROSS REFERENCES
    1651144 logo

    canSAR1651144

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 889.23
    AlogP -4.30
    HBond donors 11
    HBond acceptors 22
    Atoms 109
    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 canSAR1651144.