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canSAR54844
FEATURES
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NAMES
    SMILES
    CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
    InChI
    InChI=1S/C27H35N5O3/c1-4-29-24(33)22(15-14-18-10-6-5-7-11-18)31-25(34)23(32-26(35)27(2,3)28)16-19-17-30-21-13-9-8-12-20(19)21/h5-13,17,22-23,30H,4,14-16,28H2,1-3H3,(H,29,33)(H,31,34)(H,32,35)/t22-,23+/m0/s1
    MOLECULAR FORMULA
    C27H35N5O3
    CROSS REFERENCES
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    canSAR54844

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.27
    AlogP 2.19
    HBond donors 6
    HBond acceptors 8
    Atoms 70
    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 canSAR54844.