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canSAR1593060
FEATURES
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NAMES
    SMILES
    C=C1/C(=C/C=C2\CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)C(CCC)C1O
    InChI
    InChI=1S/C30H50O3/c1-7-10-24-27(31)19-23(21(3)28(24)32)14-13-22-12-9-18-30(6)25(15-16-26(22)30)20(2)11-8-17-29(4,5)33/h13-14,20,24-28,31-33H,3,7-12,15-19H2,1-2,4-6H3/b22-13+,23-14+/t20-,24+,25-,26+,27-,28-,30-/m1/s1
    MOLECULAR FORMULA
    C30H50O3
    CROSS REFERENCES
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    canSAR1593060

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.38
    AlogP 6.73
    HBond donors 3
    HBond acceptors 3
    Atoms 83
    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 canSAR1593060.