canSAR1932500
FEATURES
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NAMES
    SMILES
    CCCCNc1c(-c2ccc(SC(C)CC)c(OC)c2)nc2ccc(Cl)cn12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C22H28ClN3OS.C2HF3O2/c1-5-7-12-24-22-21(25-20-11-9-17(23)14-26(20)22)16-8-10-19(18(13-16)27-4)28-15(3)6-2;3-2(4,5)1(6)7/h8-11,13-15,24H,5-7,12H2,1-4H3;(H,6,7)
    MOLECULAR FORMULA
    C24H29ClF3N3O3S
    CROSS REFERENCES
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    canSAR1932500
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight531.16
    AlogP7.40
    HBond donors2
    HBond acceptors6
    Atoms64
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932500.