General Information of the Compound
| Compound ID |
CP0249594
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-1-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]imidazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25N9O14P2
|
||||||||||||||||||
| Molecular Weight |
665.406
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1ncn([C@@H]2O[C@@H]3COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@H]3[C@H]2O)O[C@H]4n2cnc3c2nc(N)[nH]c3=O)c1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25N9O14P2/c20-13-7(14(21)31)23-3-27(13)17-10(30)11-6(40-17)2-38-44(35,36)42-12-9(29)5(1-37-43(33,34)41-11)39-18(12)28-4-24-8-15(28)25-19(22)26-16(8)32/h3-6,9-12,17-18,29-30H,1-2,20H2,(H2,21,31)(H,33,34)(H,35,36)(H3,22,25,26,32)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CCBLBEZWGSZRIQ-MHARETSRSA-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