General Information of the Compound
| Compound ID |
CP0952449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N'1-(6-Isopropyl-2-pyridin-4-yl-thieno[2,3-d]pyrimidin-4-yl)-propane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N5S
|
||||||||||||||||||
| Molecular Weight |
327.457
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc2c(NC[C@@H](C)N)nc(-c3ccncc3)nc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N5S/c1-10(2)14-8-13-16(20-9-11(3)18)21-15(22-17(13)23-14)12-4-6-19-7-5-12/h4-8,10-11H,9,18H2,1-3H3,(H,20,21,22)/t11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSBZXFHSKFXCGL-LLVKDONJSA-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