canSAR1387876
FEATURES
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NAMES
    SMILES
    O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3c(F)cccc3-c3nnn[nH]3)CC[C@H]2CN1
    InChI
    InChI=1S/C17H20FN5O3/c18-13-3-1-2-12(16-20-22-23-21-16)15(13)26-11-5-4-9-8-19-14(17(24)25)7-10(9)6-11/h1-3,9-11,14,19H,4-8H2,(H,24,25)(H,20,21,22,23)/t9-,10+,11-,14-/m0/s1
    MOLECULAR FORMULA
    C17H20FN5O3
    CROSS REFERENCES
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    canSAR1387876
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight361.16
    AlogP1.62
    HBond donors3
    HBond acceptors8
    Atoms46
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387876.