General Information of the Compound
| Compound ID |
CP0914005
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
{2-[2-(Pyrazin-2-ylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-(R)-pyrrolidin-3-yl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N8S
|
||||||||||||||||||
| Molecular Weight |
390.476
|
||||||||||||||||||
| Canonical SMILES |
c1cnc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N8S/c1-5-22-15(26-16-11-21-6-7-23-16)9-12(1)18-25-14-3-8-28-17(14)19(27-18)24-13-2-4-20-10-13/h1,3,5-9,11,13,20H,2,4,10H2,(H,22,23,26)(H,24,25,27)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILUJCDKHTWBHRY-CYBMUJFWSA-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