canSAR1087135
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
    InChI
    InChI=1S/C33H42N8O8/c34-24(13-14-28(43)44)29(45)39-26(17-19-8-11-23(42)12-9-19)31(47)38-25(6-3-15-37-33(35)36)30(46)40-27(32(48)41-49)18-20-7-10-21-4-1-2-5-22(21)16-20/h1-2,4-5,7-12,16,24-27,42,49H,3,6,13-15,17-18,34H2,(H,38,47)(H,39,45)(H,40,46)(H,41,48)(H,43,44)(H4,35,36,37)/t24-,25-,26-,27-/m1/s1
    MOLECULAR FORMULA
    C33H42N8O8
    CROSS REFERENCES
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    canSAR1087135
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight678.31
    AlogP-0.25
    HBond donors13
    HBond acceptors16
    Atoms91
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087135.