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canSAR1647860
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](CCCCN)n3cc([C@@H](N)CC(C)C)nn3)CC2)nc(N2CCN(C(=O)[C@H](CCCCN)n3cc([C@@H](N)CO)nn3)CC2)n1
    InChI
    InChI=1S/C43H74N18O6/c1-4-22-65-24-26-67-27-25-66-23-13-48-41-49-42(58-18-14-56(15-19-58)39(63)37(9-5-7-11-44)60-29-35(52-54-60)33(46)28-32(2)3)51-43(50-41)59-20-16-57(17-21-59)40(64)38(10-6-8-12-45)61-30-36(53-55-61)34(47)31-62/h1,29-30,32-34,37-38,62H,5-28,31,44-47H2,2-3H3,(H,48,49,50,51)/t33-,34-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C43H74N18O6
    CROSS REFERENCES
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    canSAR1647860

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 938.60
    AlogP -0.77
    HBond donors 10
    HBond acceptors 24
    Atoms 141
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1647860.