canSAR2161552
FEATURES
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NAMES
    SMILES
    Cc1ccc(N=C(O)c2cc(CN3CCNCC3)cc(S(F)(F)(F)(F)F)c2)cc1-n1ccn2nc(-c3cccnc3)cc12
    InChI
    InChI=1S/C29H28F5N7OS/c1-20-4-5-24(16-27(20)40-11-12-41-28(40)17-26(38-41)22-3-2-6-36-18-22)37-29(42)23-13-21(19-39-9-7-35-8-10-39)14-25(15-23)43(30,31,32,33)34/h2-6,11-18,35H,7-10,19H2,1H3,(H,37,42)
    MOLECULAR FORMULA
    C29H28F5N7OS
    CROSS REFERENCES
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    canSAR2161552
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight617.20
    AlogP7.19
    HBond donors2
    HBond acceptors8
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2161552.