General Information of the Compound
| Compound ID |
CP0436494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2086768
Show/Hide
|
||||||||||||||||||
| Formula |
C20H30BN4O21P3
|
||||||||||||||||||
| Molecular Weight |
766.201
|
||||||||||||||||||
| Canonical SMILES |
BP(=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30BN4O21P3/c1-39-7-3-24(19(32)22-15(7)30)17-13(28)11(26)9(43-17)5-41-48(35,36)45-47(21,34)46-49(37,38)42-6-10-12(27)14(29)18(44-10)25-4-8(40-2)16(31)23-20(25)33/h3-4,9-14,17-18,26-29H,5-6,21H2,1-2H3,(H,35,36)(H,37,38)(H,22,30,32)(H,23,31,33)/t9-,10-,11-,12-,13-,14-,17-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNTLSUREFVNQIU-WATVCZEXSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound