canSAR2079736
FEATURES
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NAMES
    SMILES
    Cn1c(N2CCO[C@@H](c3ccc(N4CC[C@@H](N5CCCC5)C4)cc3)C2)nc(-c2ccncc2F)cc1=O
    InChI
    InChI=1S/C28H33FN6O2/c1-32-27(36)16-25(23-8-10-30-17-24(23)29)31-28(32)35-14-15-37-26(19-35)20-4-6-21(7-5-20)34-13-9-22(18-34)33-11-2-3-12-33/h4-8,10,16-17,22,26H,2-3,9,11-15,18-19H2,1H3/t22-,26-/m1/s1
    MOLECULAR FORMULA
    C28H33FN6O2
    CROSS REFERENCES
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    canSAR2079736
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight504.26
    AlogP3.23
    HBond donors0
    HBond acceptors8
    Atoms70
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079736.