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canSAR503001
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O
    InChI
    InChI=1S/C33H46N6O10/c1-18(2)13-24(30(45)38-26(17-40)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-32(47)28(19(3)41)39-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,47)(H,36,43)(H,37,46)(H,38,45)(H,39,44)(H,48,49)/t19-,23+,24+,25+,26+,28-/m1/s1
    MOLECULAR FORMULA
    C33H46N6O10
    CROSS REFERENCES
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    canSAR503001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 686.33
    AlogP -1.94
    HBond donors 11
    HBond acceptors 16
    Atoms 95
    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 canSAR503001.