canSAR1088861
FEATURES
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NAMES
    SMILES
    O=C([C@@H]1CCCN1)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
    InChI
    InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m0/s1
    MOLECULAR FORMULA
    C24H29F2N9O2
    CROSS REFERENCES
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    canSAR1088861
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight513.24
    AlogP1.39
    HBond donors1
    HBond acceptors11
    Atoms66
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1088861.