canSAR1387020
FEATURES
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NAMES
    SMILES
    Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(c2ncc(F)cn2)C3)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H20FN5O2.C2HF3O2/c1-12-2-5-19-16(22-12)25-11-17-4-7-24-14(17)3-6-23(10-17)15-20-8-13(18)9-21-15;3-2(4,5)1(6)7/h2,5,8-9,14H,3-4,6-7,10-11H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C19H21F4N5O4
    CROSS REFERENCES
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    canSAR1387020
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight459.15
    AlogP2.41
    HBond donors1
    HBond acceptors9
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387020.