General Information of the Compound
| Compound ID |
CP0896798
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-{4-[4-((R)-Pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-ylamino}-propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N6OS
|
||||||||||||||||||
| Molecular Weight |
370.482
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)CNc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N6OS/c1-11(25)9-21-15-8-12(2-6-20-15)17-23-14-4-7-26-16(14)18(24-17)22-13-3-5-19-10-13/h2,4,6-8,11,13,19,25H,3,5,9-10H2,1H3,(H,20,21)(H,22,23,24)/t11-,13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDAPHVRPLCQEFJ-DGCLKSJQSA-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