canSAR1417669
FEATURES
Loading...
NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)Cn3cc(CCCN=C(N)N)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCC(=O)O)nn3)CC2)n1.Cl
    InChI
    InChI=1S/C39H61N17O7.ClH/c1-4-20-61-22-24-63-25-23-62-21-11-43-37-44-38(53-16-12-51(13-17-53)32(57)28-55-26-30(47-49-55)7-6-10-42-36(40)41)46-39(45-37)54-18-14-52(15-19-54)35(60)34(29(3)5-2)56-27-31(48-50-56)8-9-33(58)59;/h1,26-27,29,34H,5-25,28H2,2-3H3,(H,58,59)(H4,40,41,42)(H,43,44,45,46);1H/t29-,34-;/m0./s1
    MOLECULAR FORMULA
    C39H62ClN17O7
    CROSS REFERENCES
    Loading...
    canSAR1417669
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight915.47
    AlogP-0.92
    HBond donors6
    HBond acceptors24
    Atoms126
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417669.