General Information of the Compound
| Compound ID |
CP0139675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20N8S
|
||||||||||||||||||
| Molecular Weight |
356.459
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(nc2n(C[C@@H]3CCN(Cc4nccs4)C3)nnc12)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20N8S/c17-14-13-16(20-15(19-14)11-1-2-11)24(22-21-13)8-10-3-5-23(7-10)9-12-18-4-6-25-12/h4,6,10-11H,1-3,5,7-9H2,(H2,17,19,20)/t10-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQAIWNYIUVKEPK-SNVBAGLBSA-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