General Information of the Compound
| Compound ID |
CP0429755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,3S,4R,5S)-4-[6-(ethylamino)-2-iodopurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19IN6O3
|
||||||||||||||||||
| Molecular Weight |
458.26
|
||||||||||||||||||
| Canonical SMILES |
CCNc1nc(I)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)NC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19IN6O3/c1-3-18-11-7-12(21-14(16)20-11)22(5-19-7)8-6-4-15(6,13(25)17-2)10(24)9(8)23/h5-6,8-10,23-24H,3-4H2,1-2H3,(H,17,25)(H,18,20,21)/t6-,8-,9+,10+,15+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCKLVSWYDNRQJV-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: PT00840, Adenosine receptor A1
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3