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canSAR1265155
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OCC(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)NCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=O
    InChI
    InChI=1S/C37H52N10O14/c1-18(44-25(52)15-58-31-26(45-19(2)50)37(61-23(13-49)29(31)54)59-14-20-6-4-3-5-7-20)35(57)46-21(32(38)56)8-9-24(51)39-10-11-40-33-27-34(42-16-41-33)47(17-43-27)36-30(55)28(53)22(12-48)60-36/h3-7,16-18,21-23,26,28-31,36-37,48-49,53-55H,8-15H2,1-2H3,(H2,38,56)(H,39,51)(H,44,52)(H,45,50)(H,46,57)(H,40,41,42)/t18-,21-,22-,23-,26-,28-,29-,30-,31-,36-,37+/m1/s1
    MOLECULAR FORMULA
    C37H52N10O14
    CROSS REFERENCES
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    canSAR1265155

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 860.37
    AlogP -4.59
    HBond donors 12
    HBond acceptors 24
    Atoms 113
    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 canSAR1265155.