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canSAR12679
FEATURES
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NAMES
    SMILES
    CC(=O)NC1C(OC2C(OP(=O)(O)OC[C@@H](OCCC(C)CCCCC(C)(C)CCC(C)CCC(C)CCCC(C)C)C(=O)O)OC(C(N)=O)C(C)(O)C2OC(N)=O)OC(CO)C(O)C1O
    InChI
    InChI=1S/C44H82N3O18P/c1-25(2)13-12-15-26(3)16-17-28(5)18-21-43(7,8)20-11-10-14-27(4)19-22-59-31(39(53)54)24-60-66(57,58)65-41-35(36(64-42(46)55)44(9,56)37(63-41)38(45)52)62-40-32(47-29(6)49)34(51)33(50)30(23-48)61-40/h25-28,30-37,40-41,48,50-51,56H,10-24H2,1-9H3,(H2,45,52)(H2,46,55)(H,47,49)(H,53,54)(H,57,58)/t26?,27?,28?,30?,31-,32?,33?,34?,35?,36?,37?,40?,41?,44?/m1/s1
    MOLECULAR FORMULA
    C44H82N3O18P
    CROSS REFERENCES
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    canSAR12679

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 971.53
    AlogP 3.62
    HBond donors 11
    HBond acceptors 21
    Atoms 148
    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 canSAR12679.