canSAR2094475
FEATURES
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NAMES
    SMILES
    Cc1ccn2nc3c(c2n1)CN([C@@H]1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3
    InChI
    InChI=1S/C21H22F3N5/c1-11-4-5-29-21(26-11)15-9-28(10-20(15)27-29)12-2-3-13(19(25)6-12)14-7-17(23)18(24)8-16(14)22/h4-5,7-8,12-13,19H,2-3,6,9-10,25H2,1H3/t12-,13-,19+/m1/s1
    MOLECULAR FORMULA
    C21H22F3N5
    CROSS REFERENCES
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    canSAR2094475
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight401.18
    AlogP3.43
    HBond donors2
    HBond acceptors5
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094475.