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canSAR653967
FEATURES
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NAMES
    SMILES
    CCc1cc(F)cc(C)c1C(=O)N[C@@H](Cc1ccc(N2CCC(CNc3ccccn3)CC2)cc1)C(=O)O
    InChI
    InChI=1S/C30H35FN4O3/c1-3-23-18-24(31)16-20(2)28(23)29(36)34-26(30(37)38)17-21-7-9-25(10-8-21)35-14-11-22(12-15-35)19-33-27-6-4-5-13-32-27/h4-10,13,16,18,22,26H,3,11-12,14-15,17,19H2,1-2H3,(H,32,33)(H,34,36)(H,37,38)/t26-/m0/s1
    MOLECULAR FORMULA
    C30H35FN4O3
    CROSS REFERENCES
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    canSAR653967

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.27
    AlogP 4.85
    HBond donors 3
    HBond acceptors 7
    Atoms 73
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR653967.