canSAR2095749
FEATURES
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NAMES
    SMILES
    N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C20H20F3N5.C2HF3O2/c21-15-8-17(23)16(22)7-13(15)12-3-2-11(6-18(12)24)27-9-14-19(10-27)26-28-5-1-4-25-20(14)28;3-2(4,5)1(6)7/h1,4-5,7-8,11-12,18H,2-3,6,9-10,24H2;(H,6,7)/t11-,12+,18-;/m0./s1
    MOLECULAR FORMULA
    C22H21F6N5O2
    CROSS REFERENCES
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    canSAR2095749
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight501.16
    AlogP3.76
    HBond donors3
    HBond acceptors7
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095749.