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canSAR1017774
FEATURES
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NAMES
    SMILES
    CCOC(=O)CCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6cc(OC)c(OC)c(OC)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C48H70O9/c1-12-55-39(49)14-13-27-56-42(51)45(5)24-23-44(4)25-26-47(7)32(33(44)30-45)16-17-37-46(6)21-20-38(43(2,3)36(46)19-22-48(37,47)8)57-40(50)18-15-31-28-34(52-9)41(54-11)35(29-31)53-10/h15-16,18,28-29,33,36-38H,12-14,17,19-27,30H2,1-11H3/b18-15+/t33-,36-,37+,38-,44+,45-,46-,47+,48+/m0/s1
    MOLECULAR FORMULA
    C48H70O9
    CROSS REFERENCES
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    canSAR1017774

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 790.50
    AlogP 10.33
    HBond donors 0
    HBond acceptors 9
    Atoms 127
    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 canSAR1017774.