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canSAR1014628
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3c(C)c(OC)ccc23)[C@H]2CC[C@H](C(C)C)C(=O)N12)C(=O)NS(=O)(=O)C1CC1
    InChI
    InChI=1S/C34H44N4O8S/c1-7-20-17-34(20,33(41)37-47(42,43)21-9-10-21)36-31(39)25-15-28(24-13-11-22(18(3)4)32(40)38(24)25)46-27-16-29(45-8-2)35-30-19(5)26(44-6)14-12-23(27)30/h7,12,14,16,18,20-22,24-25,28H,1,8-11,13,15,17H2,2-6H3,(H,36,39)(H,37,41)/t20-,22-,24-,25+,28-,34-/m1/s1
    MOLECULAR FORMULA
    C34H44N4O8S
    CROSS REFERENCES
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    canSAR1014628

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 668.29
    AlogP 3.40
    HBond donors 2
    HBond acceptors 12
    Atoms 91
    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 canSAR1014628.