canSAR1846716
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H](N)C(C)CC)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H](N)Cc4ccc(O)cc4)nn3)CC2)n1.Cl
    InChI
    InChI=1S/C54H75N17O6.ClH/c1-6-26-75-28-30-77-31-29-76-27-17-57-52-59-53(68-22-18-66(19-23-68)50(73)47(34-41-33-40-11-9-10-12-44(40)58-41)70-36-46(63-64-70)48(56)37(4)7-2)61-54(60-52)69-24-20-67(21-25-69)51(74)49(38(5)8-3)71-35-45(62-65-71)43(55)32-39-13-15-42(72)16-14-39;/h1,9-16,33,35-38,43,47-49,58,72H,7-8,17-32,34,55-56H2,2-5H3,(H,57,59,60,61);1H/t37?,38-,43-,47-,48-,49-;/m0./s1
    MOLECULAR FORMULA
    C54H76ClN17O6
    CROSS REFERENCES
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    canSAR1846716
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1093.59
    AlogP4.12
    HBond donors7
    HBond acceptors23
    Atoms154
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846716.