General Information of the Compound
| Compound ID |
CP0405187
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4R,5R)-5-[2-chloro-6-(2-methoxyethylamino)purin-9-yl]-3,4-dihydroxy-N,N-dimethylthiolane-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H21ClN6O4S
|
||||||||||||||||||
| Molecular Weight |
416.891
|
||||||||||||||||||
| Canonical SMILES |
COCCNc1nc(Cl)nc2n(cnc12)[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H21ClN6O4S/c1-21(2)13(25)10-8(23)9(24)14(27-10)22-6-18-7-11(17-4-5-26-3)19-15(16)20-12(7)22/h6,8-10,14,23-24H,4-5H2,1-3H3,(H,17,19,20)/t8-,9+,10-,14+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVTJZQUAYIGBBT-AEISUSGSSA-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3