canSAR736673
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
    InChI
    InChI=1S/C36H44N12O6/c37-36(38)40-12-6-11-26-33(52)48-28(14-22-16-41-25-10-5-4-9-24(22)25)32(51)43-18-30(49)42-19-31(50)45-29(15-23-17-39-20-44-23)35(54)47-27(34(53)46-26)13-21-7-2-1-3-8-21/h1-5,7-10,16-17,20,26-29,41H,6,11-15,18-19H2,(H,39,44)(H,42,49)(H,43,51)(H,45,50)(H,46,53)(H,47,54)(H,48,52)(H4,37,38,40)/t26-,27-,28+,29-/m1/s1
    MOLECULAR FORMULA
    C36H44N12O6
    CROSS REFERENCES
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    canSAR736673
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight740.35
    AlogP-1.63
    HBond donors12
    HBond acceptors18
    Atoms98
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR736673.