canSAR2095636
FEATURES
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NAMES
    SMILES
    Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(c3ccccc3)C[C@@H]21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C21H25N3O2.2C2HF3O2/c1-15-19(8-5-11-22-15)23-21(25)17-10-13-26-20-9-12-24(14-18(17)20)16-6-3-2-4-7-16;2*3-2(4,5)1(6)7/h2-8,11,17-18,20H,9-10,12-14H2,1H3,(H,23,25);2*(H,6,7)/t17-,18-,20-;;/m1../s1
    MOLECULAR FORMULA
    C25H27F6N3O6
    CROSS REFERENCES
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    canSAR2095636
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight579.18
    AlogP4.53
    HBond donors3
    HBond acceptors9
    Atoms67
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095636.