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canSAR1620124
FEATURES
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NAMES
    SMILES
    C=C1CCC(CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\C(=O)OC[C@@H]1O
    InChI
    InChI=1S/C30H46O7/c1-19-7-9-21(26(2,3)23(19)12-11-22-24(31)18-34-25(22)32)10-8-20-13-14-30(35-17-20)28(6)15-16-29(33,37-30)27(4,5)36-28/h11,20-21,23-24,31,33H,1,7-10,12-18H2,2-6H3/b22-11-/t20-,21?,23+,24+,28+,29+,30+/m1/s1
    MOLECULAR FORMULA
    C30H46O7
    CROSS REFERENCES
    1620124 logo

    canSAR1620124

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.32
    AlogP 4.80
    HBond donors 2
    HBond acceptors 7
    Atoms 83
    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 canSAR1620124.