canSAR1387153
FEATURES
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NAMES
    SMILES
    N#Cc1cccc(CN2CC[C@H]3CN(c4ncccn4)CCO[C@@H]3C2)c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C20H23N5O.C2HF3O2/c21-12-16-3-1-4-17(11-16)13-24-8-5-18-14-25(9-10-26-19(18)15-24)20-22-6-2-7-23-20;3-2(4,5)1(6)7/h1-4,6-7,11,18-19H,5,8-10,13-15H2;(H,6,7)
    MOLECULAR FORMULA
    C22H24F3N5O3
    CROSS REFERENCES
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    canSAR1387153
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight463.18
    AlogP2.71
    HBond donors1
    HBond acceptors8
    Atoms57
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387153.