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canSAR1829759
FEATURES
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NAMES
    SMILES
    CCC(CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(=O)CCCc1c[nH]c2ccccc12
    InChI
    InChI=1S/C37H55N8O17P3S/c1-4-22(26(46)11-7-8-23-16-41-25-10-6-5-9-24(23)25)18-66-15-14-39-28(47)12-13-40-35(50)32(49)37(2,3)19-59-65(56,57)62-64(54,55)58-17-27-31(61-63(51,52)53)30(48)36(60-27)45-21-44-29-33(38)42-20-43-34(29)45/h5-6,9-10,16,20-22,27,30-32,36,41,48-49H,4,7-8,11-15,17-19H2,1-3H3,(H,39,47)(H,40,50)(H,54,55)(H,56,57)(H2,38,42,43)(H2,51,52,53)/p-2
    MOLECULAR FORMULA
    C37H53N8O17P3S-2
    CROSS REFERENCES
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    canSAR1829759

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1006.25
    AlogP 0.97
    HBond donors 9
    HBond acceptors 25
    Atoms 119
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1829759.