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canSAR84444
FEATURES
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NAMES
    SMILES
    COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C#Cc1cccc(Cl)c1
    InChI
    InChI=1S/C24H29ClO5/c1-30-24(29)10-5-3-2-4-9-20-21(23(28)16-22(20)27)14-13-19(26)12-11-17-7-6-8-18(25)15-17/h2,4,6-8,13-15,19-23,26-28H,3,5,9-10,16H2,1H3/b4-2-,14-13+/t19-,20+,21+,22-,23+/m0/s1
    MOLECULAR FORMULA
    C24H29ClO5
    CROSS REFERENCES
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    canSAR84444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.17
    AlogP 3.26
    HBond donors 3
    HBond acceptors 5
    Atoms 59
    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 canSAR84444.