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canSAR1124478
FEATURES
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NAMES
    SMILES
    CC(=O)Oc1cc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)ccc1O
    InChI
    InChI=1S/C40H52O7/c1-24(2)12-11-19-38(10)30(15-13-25(3)4)23-39(20-17-26(5)6)35(44)33(36(45)40(38,37(39)46)21-18-27(7)8)34(43)29-14-16-31(42)32(22-29)47-28(9)41/h12-14,16-18,22,30,42,44H,11,15,19-21,23H2,1-10H3/t30-,38+,39-,40+/m0/s1
    MOLECULAR FORMULA
    C40H52O7
    CROSS REFERENCES
    1124478 logo

    canSAR1124478

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 644.37
    AlogP 9.28
    HBond donors 2
    HBond acceptors 7
    Atoms 99
    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 canSAR1124478.