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canSAR1724576
FEATURES
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NAMES
    SMILES
    COCCOCCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CCSC(N)=N3)c2)cn1
    InChI
    InChI=1S/C21H26FN5O4S/c1-21(5-10-32-20(23)27-21)15-11-14(3-4-16(15)22)26-19(28)17-12-25-18(13-24-17)31-9-8-30-7-6-29-2/h3-4,11-13H,5-10H2,1-2H3,(H2,23,27)(H,26,28)/t21-/m0/s1
    MOLECULAR FORMULA
    C21H26FN5O4S
    CROSS REFERENCES
    1724576 logo

    canSAR1724576

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.17
    AlogP 2.58
    HBond donors 3
    HBond acceptors 9
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1724576.