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canSAR502234
FEATURES
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NAMES
    SMILES
    CCC[C@H]1C(=O)N([C@@H](Cc2ccc(OC)cc2)C(=O)NCCCCCC(=O)NO)C(=O)[C@@H]1CC(C)C
    InChI
    InChI=1S/C27H41N3O6/c1-5-9-21-22(16-18(2)3)27(34)30(26(21)33)23(17-19-11-13-20(36-4)14-12-19)25(32)28-15-8-6-7-10-24(31)29-35/h11-14,18,21-23,35H,5-10,15-17H2,1-4H3,(H,28,32)(H,29,31)/t21-,22-,23+/m1/s1
    MOLECULAR FORMULA
    C27H41N3O6
    CROSS REFERENCES
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    canSAR502234

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.30
    AlogP 3.24
    HBond donors 3
    HBond acceptors 9
    Atoms 77
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR502234.