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canSAR1126319
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@H](C=O)[C@]1(C)CC[C@H](C(C)C)[C@@H]1c1cc(/C(O)=C/c2cc(O)c(=O)c(C)c3c2[C@@H](O)[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H]32)cc(O)c(=O)c1C
    InChI
    InChI=1S/C42H54O10/c1-19(2)26-10-12-41(8,32(18-43)52-23(7)44)35(26)28-14-24(15-30(46)37(48)21(28)5)29(45)16-25-17-31(47)38(49)22(6)33-34(25)39(50)40(51)42(9)13-11-27(20(3)4)36(33)42/h14-20,26-27,32,35-36,39-40,45,50-51H,10-13H2,1-9H3,(H,46,48)(H,47,49)/b29-16-/t26-,27-,32+,35-,36-,39-,40+,41+,42-/m1/s1
    MOLECULAR FORMULA
    C42H54O10
    CROSS REFERENCES
    1126319 logo

    canSAR1126319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 718.37
    AlogP 6.34
    HBond donors 5
    HBond acceptors 10
    Atoms 106
    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 canSAR1126319.