General Information of the Compound
| Compound ID |
CP0386313
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,3S,4R,5S)-4-[2-chloro-6-(dimethylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19ClN6O3
|
||||||||||||||||||
| Molecular Weight |
366.809
|
||||||||||||||||||
| Canonical SMILES |
CNC(=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/C15H19ClN6O3/c1-17-13(25)15-4-6(15)8(9(23)10(15)24)22-5-18-7-11(21(2)3)19-14(16)20-12(7)22/h5-6,8-10,23-24H,4H2,1-3H3,(H,17,25)/t6-,8-,9+,10+,15+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUQHAQGFUDJVGX-RFXZSQAESA-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
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3