canSAR2095756
FEATURES
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NAMES
    SMILES
    CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)Nc1ccc(C)cc1N)CC(C)C
    InChI
    InChI=1S/C27H35N5O3/c1-16(2)11-18(14-25(33)31-23-10-9-17(3)12-21(23)28)26(34)32-24(27(35)29-4)13-19-15-30-22-8-6-5-7-20(19)22/h5-10,12,15-16,18,24,30H,11,13-14,28H2,1-4H3,(H,29,35)(H,31,33)(H,32,34)/t18-,24+/m1/s1
    MOLECULAR FORMULA
    C27H35N5O3
    CROSS REFERENCES
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    canSAR2095756
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight477.27
    AlogP3.52
    HBond donors6
    HBond acceptors8
    Atoms70
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095756.