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canSAR1147142
FEATURES
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NAMES
    SMILES
    COc1ccc(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)cc1OC
    InChI
    InChI=1S/C40H54O6/c1-25(2)13-12-20-38(9)30(16-14-26(3)4)24-39(21-18-27(5)6)35(42)33(36(43)40(38,37(39)44)22-19-28(7)8)34(41)29-15-17-31(45-10)32(23-29)46-11/h13-15,17-19,23,30,42H,12,16,20-22,24H2,1-11H3/t30-,38+,39-,40+/m0/s1
    MOLECULAR FORMULA
    C40H54O6
    CROSS REFERENCES
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    canSAR1147142

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.39
    AlogP 9.66
    HBond donors 1
    HBond acceptors 6
    Atoms 100
    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 canSAR1147142.