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canSAR1204305
FEATURES
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NAMES
    SMILES
    CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(=O)NCCc1c[nH]c2ccccc12
    InChI
    InChI=1S/C34H50N9O17P3S/c1-19(31(47)37-10-8-20-14-39-22-7-5-4-6-21(20)22)64-13-12-36-24(44)9-11-38-32(48)28(46)34(2,3)16-57-63(54,55)60-62(52,53)56-15-23-27(59-61(49,50)51)26(45)33(58-23)43-18-42-25-29(35)40-17-41-30(25)43/h4-7,14,17-19,23,26-28,33,39,45-46H,8-13,15-16H2,1-3H3,(H,36,44)(H,37,47)(H,38,48)(H,52,53)(H,54,55)(H2,35,40,41)(H2,49,50,51)/t19?,23-,26-,27-,28?,33-/m1/s1
    MOLECULAR FORMULA
    C34H50N9O17P3S
    CROSS REFERENCES
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    canSAR1204305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 981.23
    AlogP 0.37
    HBond donors 12
    HBond acceptors 26
    Atoms 114
    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 canSAR1204305.