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canSAR49850
FEATURES
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NAMES
    SMILES
    NC(N)=NCCC[C@H]1COc2ccc(NC(=O)c3ccc4nc(O)c(O)nc4c3)cc2C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1
    InChI
    InChI=1S/C34H39N11O7/c35-19-6-3-17(4-7-19)12-26-31(49)42-21(2-1-11-39-34(37)38)16-52-27-10-8-20(14-22(27)29(47)40-15-23(36)30(48)45-26)41-28(46)18-5-9-24-25(13-18)44-33(51)32(50)43-24/h3-10,13-14,21,23,26H,1-2,11-12,15-16,35-36H2,(H,40,47)(H,41,46)(H,42,49)(H,43,50)(H,44,51)(H,45,48)(H4,37,38,39)/t21-,23+,26-/m0/s1
    MOLECULAR FORMULA
    C34H39N11O7
    CROSS REFERENCES
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    canSAR49850

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 713.30
    AlogP -0.41
    HBond donors 14
    HBond acceptors 18
    Atoms 91
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR49850.