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canSAR1150206
FEATURES
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NAMES
    SMILES
    C=C1CC[C@]2(O)[C@]3(C)C[C@]4(O)O[C@@]2([C@@H]1O)[C@]1(NNc2ccccc2)O[C@@]3(O)[C@H](OC(=O)c2ccc[nH]2)[C@](O)(C(C)C)[C@]41C
    InChI
    InChI=1S/C31H39N3O9/c1-17(2)28(39)23(41-22(36)20-12-9-15-32-20)30(40)24(4)16-27(38)25(28,5)31(43-30,34-33-19-10-7-6-8-11-19)29(42-27)21(35)18(3)13-14-26(24,29)37/h6-12,15,17,21,23,32-35,37-40H,3,13-14,16H2,1-2,4-5H3/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31-/m1/s1
    MOLECULAR FORMULA
    C31H39N3O9
    CROSS REFERENCES
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    canSAR1150206

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 597.27
    AlogP 1.29
    HBond donors 8
    HBond acceptors 12
    Atoms 82
    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 canSAR1150206.