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canSAR831931
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@H]3[C@@H]([C@@H](C/C=C/C[C@H]4CC5=CC(=O)CC[C@]5(C)[C@H]5CC[C@]6(C)[C@@H](O)CC[C@H]6[C@H]45)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
    InChI
    InChI=1S/C42H60O4/c1-39-17-13-29(43)23-27(39)21-25(37-31-9-11-35(45)41(31,3)19-15-33(37)39)7-5-6-8-26-22-28-24-30(44)14-18-40(28,2)34-16-20-42(4)32(38(26)34)10-12-36(42)46/h5-6,23-26,31-38,45-46H,7-22H2,1-4H3/b6-5+/t25-,26-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C42H60O4
    CROSS REFERENCES
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    canSAR831931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 628.45
    AlogP 8.56
    HBond donors 2
    HBond acceptors 4
    Atoms 106
    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 canSAR831931.