canSAR539728
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)O.Cl
    InChI
    InChI=1S/C33H43N5O5.ClH/c1-21(2)17-27(36-30(39)22-11-5-4-6-12-22)32(41)38(3)29(18-23-20-35-26-15-8-7-14-25(23)26)31(40)37-28(33(42)43)19-24-13-9-10-16-34-24;/h7-10,13-16,20-22,27-29,35H,4-6,11-12,17-19H2,1-3H3,(H,36,39)(H,37,40)(H,42,43);1H/t27-,28-,29+;/m1./s1
    MOLECULAR FORMULA
    C33H44ClN5O5
    CROSS REFERENCES
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    canSAR539728
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight625.30
    AlogP4.28
    HBond donors4
    HBond acceptors10
    Atoms88
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539728.