canSAR2101625
FEATURES
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NAMES
    SMILES
    Cc1cc([C@H](C)Oc2cc(F)ccc2Nc2ncnc3cc(N=S4(=O)CCNCC4)cc(C)c23)on1
    InChI
    InChI=1S/C25H27FN6O3S/c1-15-10-19(32-36(33)8-6-27-7-9-36)13-21-24(15)25(29-14-28-21)30-20-5-4-18(26)12-23(20)34-17(3)22-11-16(2)31-35-22/h4-5,10-14,17,27H,6-9H2,1-3H3,(H,28,29,30)/t17-/m0/s1
    MOLECULAR FORMULA
    C25H27FN6O3S
    CROSS REFERENCES
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    canSAR2101625
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight510.18
    AlogP4.96
    HBond donors2
    HBond acceptors9
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2101625.