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canSAR1092621
FEATURES
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NAMES
    SMILES
    C#C[C@H](O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C34H52O3/c1-10-27(36)34-18-13-23(21(2)3)29(34)24-11-12-26-31(7)16-15-28(37-22(4)35)30(5,6)25(31)14-17-33(26,9)32(24,8)19-20-34/h1,23-29,36H,2,11-20H2,3-9H3/t23-,24+,25-,26+,27-,28-,29+,31-,32+,33+,34+/m0/s1
    MOLECULAR FORMULA
    C34H52O3
    CROSS REFERENCES
    1092621 logo

    canSAR1092621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.39
    AlogP 7.57
    HBond donors 1
    HBond acceptors 3
    Atoms 89
    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 canSAR1092621.