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canSAR1971631
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NAMES
    SMILES
    COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12
    InChI
    InChI=1S/C21H32O3/c1-14(11-19(23)24-6)7-9-20(4)15(2)8-10-21(5)16(3)12-17(22)13-18(20)21/h11-12,15,18H,7-10,13H2,1-6H3/b14-11+/t15-,18-,20+,21+/m1/s1
    MOLECULAR FORMULA
    C21H32O3
    CROSS REFERENCES
    1971631 logo

    canSAR1971631

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 332.24
    AlogP 4.86
    HBond donors 0
    HBond acceptors 3
    Atoms 56
    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 canSAR1971631.