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canSAR1014851
FEATURES
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NAMES
    SMILES
    CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.[BH3-]P(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
    InChI
    InChI=1S/C20H29BN10O15P3.3C12H27N/c21-47(36,41-1-7-11(32)13(34)19(43-7)30-5-28-9-15(22)24-3-26-17(9)30)45-49(39,40)46-48(37,38)42-2-8-12(33)14(35)20(44-8)31-6-29-10-16(23)25-4-27-18(10)31;3*1-4-7-10-13(11-8-5-2)12-9-6-3/h3-8,11-14,19-20,32-35H,1-2H2,21H3,(H,37,38)(H,39,40)(H2,22,24,26)(H2,23,25,27);3*4-12H2,1-3H3/q-1;;;/p+1/t7-,8-,11-,12-,13-,14-,19-,20-,47?;;;/m1.../s1
    MOLECULAR FORMULA
    C56H111BN13O15P3
    CROSS REFERENCES
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    canSAR1014851

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1309.76
    AlogP 2.36
    HBond donors 11
    HBond acceptors 28
    Atoms 199
    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 canSAR1014851.