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canSAR1202980
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NAMES
    SMILES
    C=C1C[C@H]2[C@@H]3C=C(C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O
    InChI
    InChI=1S/C25H29F3O4/c1-13-10-19-17-12-21(25(26,27)28)20-11-16(31)6-8-22(20,4)18(17)7-9-23(19,5)24(13,14(2)29)32-15(3)30/h11-12,17-19H,1,6-10H2,2-5H3/t17-,18+,19+,22-,23+,24+/m1/s1
    MOLECULAR FORMULA
    C25H29F3O4
    CROSS REFERENCES
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    canSAR1202980

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.20
    AlogP 5.28
    HBond donors 0
    HBond acceptors 4
    Atoms 61
    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 canSAR1202980.