canSAR2153297
FEATURES
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NAMES
    SMILES
    Nc1nn2cccnc2c1C(=O)Nc1cn(C2CCN(CCOCc3ccccc3)CC2)nc1-c1cc(Cl)ccc1OC(F)F
    InChI
    InChI=1S/C31H31ClF2N8O3/c32-21-7-8-25(45-31(33)34)23(17-21)27-24(37-30(43)26-28(35)39-41-12-4-11-36-29(26)41)18-42(38-27)22-9-13-40(14-10-22)15-16-44-19-20-5-2-1-3-6-20/h1-8,11-12,17-18,22,31H,9-10,13-16,19H2,(H2,35,39)(H,37,43)
    MOLECULAR FORMULA
    C31H31ClF2N8O3
    CROSS REFERENCES
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    canSAR2153297
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight636.22
    AlogP5.54
    HBond donors3
    HBond acceptors11
    Atoms76
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2153297.