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canSAR1987489
FEATURES
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NAMES
    SMILES
    CCCCc1c(-c2ccccc2OC)ncn1C(C)c1ccc(Cl)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C22H25ClN2O.C2HF3O2/c1-4-5-9-20-22(19-8-6-7-10-21(19)26-3)24-15-25(20)16(2)17-11-13-18(23)14-12-17;3-2(4,5)1(6)7/h6-8,10-16H,4-5,9H2,1-3H3;(H,6,7)
    MOLECULAR FORMULA
    C24H26ClF3N2O3
    CROSS REFERENCES
    1987489 logo

    canSAR1987489

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.16
    AlogP 6.80
    HBond donors 1
    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 canSAR1987489.