canSAR857350
FEATURES
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NAMES
    SMILES
    BP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(SC)nc32)[C@H](O)[C@H]1O)OP(=O)(O)OP(=O)(O)O
    InChI
    InChI=1S/C11H19BN5O12P3S/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23/h3-4,6-7,10,18-19H,2,12H2,1H3,(H,24,25)(H2,13,15,16)(H2,21,22,23)/t4-,6+,7-,10-,30?/m1/s1
    MOLECULAR FORMULA
    C11H19BN5O12P3S
    CROSS REFERENCES
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    canSAR857350
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight549.01
    AlogP-1.27
    HBond donors7
    HBond acceptors17
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857350.