canSAR1034871
FEATURES
Loading...
NAMES
    SMILES
    BP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC
    InChI
    InChI=1S/C18H27BN4O22P4.4C12H27N/c19-46(32,43-47(33,34)39-5-7-11(26)13(28)15(41-7)22-3-1-9(24)20-17(22)30)44-49(37,38)45-48(35,36)40-6-8-12(27)14(29)16(42-8)23-4-2-10(25)21-18(23)31;4*1-4-7-10-13(11-8-5-2)12-9-6-3/h1-4,7-8,11-16,26-29H,5-6,19H2,(H,33,34)(H,35,36)(H,37,38)(H,20,24,30)(H,21,25,31);4*4-12H2,1-3H3/t7-,8-,11-,12-,13-,14-,15-,16-,46?;;;;/m1..../s1
    MOLECULAR FORMULA
    C66H135BN8O22P4
    CROSS REFERENCES
    Loading...
    canSAR1034871
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1526.87
    AlogP10.21
    HBond donors9
    HBond acceptors30
    Atoms236
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1034871.