canSAR1417295
FEATURES
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NAMES
    SMILES
    Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@@H](CCSCCC(N)C(=O)O)OP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C16H28N7O14P3S/c17-7(16(26)27)1-3-41-4-2-8(36-40(33,34)37-39(31,32)22-38(28,29)30)12-10(24)11(25)15(35-12)23-6-21-9-13(18)19-5-20-14(9)23/h5-8,10-12,15,24-25H,1-4,17H2,(H,26,27)(H,33,34)(H2,18,19,20)(H4,22,28,29,30,31,32)/t7?,8-,10+,11-,12-,15-/m1/s1
    MOLECULAR FORMULA
    C16H28N7O14P3S
    CROSS REFERENCES
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    canSAR1417295
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight667.06
    AlogP-1.76
    HBond donors12
    HBond acceptors21
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417295.