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canSAR840251
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccn1)C(=O)NO
    InChI
    InChI=1S/C22H28N4O5/c1-3-15(2)19(25-22(29)31-14-16-9-5-4-6-10-16)21(28)24-18(20(27)26-30)13-17-11-7-8-12-23-17/h4-12,15,18-19,30H,3,13-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)/t15-,18-,19-/m1/s1
    MOLECULAR FORMULA
    C22H28N4O5
    CROSS REFERENCES
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    canSAR840251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.21
    AlogP 1.96
    HBond donors 4
    HBond acceptors 9
    Atoms 59
    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 canSAR840251.