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canSAR22082
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)NN(CC(=O)O)C(=O)/C=C/C(=O)OCc1ccccc1
    InChI
    InChI=1S/C35H41N5O14/c1-21(2)31(34(51)39-40(18-29(46)47)26(41)14-16-30(48)53-19-22-9-5-3-6-10-22)38-32(49)24(13-15-27(42)43)36-33(50)25(17-28(44)45)37-35(52)54-20-23-11-7-4-8-12-23/h3-12,14,16,21,24-25,31H,13,15,17-20H2,1-2H3,(H,36,50)(H,37,52)(H,38,49)(H,39,51)(H,42,43)(H,44,45)(H,46,47)/b16-14+/t24-,25-,31-/m0/s1
    MOLECULAR FORMULA
    C35H41N5O14
    CROSS REFERENCES
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    canSAR22082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 755.27
    AlogP 0.49
    HBond donors 7
    HBond acceptors 19
    Atoms 95
    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 canSAR22082.