General Information of the Compound
| Compound ID |
CP0487559
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-amino-6-(2-methoxyethoxy)-2-oxo-3H-benzimidazol-1-yl]methyl]-N-[(1S,3S,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37S,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-37,38,39,40,41,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C60H88N4O38
|
||||||||||||||||||
| Molecular Weight |
1473.354
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)N[C@H]3[C@H](O)[C@@H]4O[C@H](CO)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O[C@H]9O[C@H](CO)[C@@H](O4)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]3O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C60H88N4O38/c1-87-6-7-88-20-8-21(61)30-22(9-20)64(60(86)63-30)10-18-2-4-19(5-3-18)52(85)62-31-32(72)53-89-23(11-65)45(31)96-54-39(79)33(73)47(25(13-67)90-54)98-56-41(81)35(75)49(27(15-69)92-56)100-58-43(83)37(77)51(29(17-71)94-58)102-59-44(84)38(78)50(28(16-70)95-59)101-57-42(82)36(76)48(26(14-68)93-57)99-55-40(80)34(74)46(97-53)24(12-66)91-55/h2-5,8-9,23-29,31-51,53-59,65-84H,6-7,10-17,61H2,1H3,(H,62,85)(H,63,86)/t23-,24-,25-,26-,27-,28-,29-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-,54-,55-,56-,57-,58-,59-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXJGFWWFNHGIBW-LDRYABBWSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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