General Information of the Compound
| Compound ID |
CP0385203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl (1S,2R,3S,4R,5S)-4-[2-chloro-6-(dimethylamino)purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexane-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20ClN5O4
|
||||||||||||||||||
| Molecular Weight |
381.82
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(nc(Cl)nc12)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20ClN5O4/c1-4-26-14(25)16-5-7(16)9(10(23)11(16)24)22-6-18-8-12(21(2)3)19-15(17)20-13(8)22/h6-7,9-11,23-24H,4-5H2,1-3H3/t7-,9-,10+,11+,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PRTCBYWVOLWEJS-KXVRGGTCSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C