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canSAR785592
FEATURES
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NAMES
    SMILES
    C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@]3(C)Cl
    InChI
    InChI=1S/C21H27ClO2/c1-4-21(24)10-8-17-18-16(7-9-19(17,21)2)15-6-5-14(23)11-13(15)12-20(18,3)22/h1,16-18,24H,5-12H2,2-3H3/t16-,17+,18-,19+,20+,21+/m1/s1
    MOLECULAR FORMULA
    C21H27ClO2
    CROSS REFERENCES
    785592 logo

    canSAR785592

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.17
    AlogP 4.24
    HBond donors 1
    HBond acceptors 2
    Atoms 51
    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 canSAR785592.