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canSAR830689
FEATURES
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NAMES
    SMILES
    COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C(N)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(OC(=O)C(N)C(C)C)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
    InChI
    InChI=1S/C31H44N2O12/c1-11(2)17(32)25(37)44-20-13(5)14-8-16-30-10-42-31(28(40)41-7,24(36)19(35)22(30)29(14,6)9-15(20)34)23(30)21(27(39)43-16)45-26(38)18(33)12(3)4/h11-12,14,16-19,21-24,35-36H,8-10,32-33H2,1-7H3/t14-,16+,17?,18?,19+,21+,22+,23+,24-,29-,30+,31-/m0/s1
    MOLECULAR FORMULA
    C31H44N2O12
    CROSS REFERENCES
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    canSAR830689

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 636.29
    AlogP -0.50
    HBond donors 6
    HBond acceptors 14
    Atoms 89
    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 canSAR830689.