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canSAR1145667
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@@H]5[C@]3(C[C@@]3(O)[C@@H]6CN7C[C@@H](C)CC[C@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]53O)O[C@]42O)cc(OC)c1OC
    InChI
    InChI=1S/C37H53NO12/c1-19-7-10-26-32(3,41)36(44)25(17-38(26)16-19)34(43)18-35-24(33(34,42)15-27(36)39)9-8-23-31(35,2)12-11-28(37(23,45)50-35)49-30(40)20-13-21(46-4)29(48-6)22(14-20)47-5/h13-14,19,23-28,39,41-45H,7-12,15-18H2,1-6H3/t19-,23-,24-,25-,26-,27-,28+,31+,32+,33+,34+,35-,36-,37+/m0/s1
    MOLECULAR FORMULA
    C37H53NO12
    CROSS REFERENCES
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    canSAR1145667

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 703.36
    AlogP 1.36
    HBond donors 6
    HBond acceptors 13
    Atoms 103
    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 canSAR1145667.