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canSAR1974461
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NAMES
    SMILES
    CCCNc1ncc(F)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1
    InChI
    InChI=1S/C21H28FN5O2/c1-4-10-23-21-24-12-19(22)20(26-21)27-11-9-18(13-27)29-17-7-5-16(6-8-17)14(2)25-15(3)28/h5-8,12,14,18H,4,9-11,13H2,1-3H3,(H,25,28)(H,23,24,26)/t14-,18+/m0/s1
    MOLECULAR FORMULA
    C21H28FN5O2
    CROSS REFERENCES
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    canSAR1974461

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.22
    AlogP 3.29
    HBond donors 2
    HBond acceptors 7
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1974461.