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canSAR784803
FEATURES
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NAMES
    SMILES
    CCCC(=O)N1C[C@@H](C(=O)N2CCN(c3c(F)cccc3[C@@H](N)C(C)C)CC2)[C@H](c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C29H38ClFN4O2/c1-4-6-26(36)35-17-23(20-9-11-21(30)12-10-20)24(18-35)29(37)34-15-13-33(14-16-34)28-22(27(32)19(2)3)7-5-8-25(28)31/h5,7-12,19,23-24,27H,4,6,13-18,32H2,1-3H3/t23-,24+,27-/m0/s1
    MOLECULAR FORMULA
    C29H38ClFN4O2
    CROSS REFERENCES
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    canSAR784803

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 528.27
    AlogP 4.83
    HBond donors 2
    HBond acceptors 6
    Atoms 75
    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 canSAR784803.