canSAR1387496
FEATURES
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NAMES
    SMILES
    Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(c2ncccn2)C3)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H21N5O2.C2HF3O2/c1-13-3-8-20-16(21-13)24-12-17-5-10-23-14(17)4-9-22(11-17)15-18-6-2-7-19-15;3-2(4,5)1(6)7/h2-3,6-8,14H,4-5,9-12H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C19H22F3N5O4
    CROSS REFERENCES
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    canSAR1387496
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight441.16
    AlogP2.27
    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 canSAR1387496.