General Information of the Compound
| Compound ID |
CP0954725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N'1-[7-((R)-3-Fluoro-but-1-ynyl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22FN5S
|
||||||||||||||||||
| Molecular Weight |
431.54
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](F)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22FN5S/c1-16(25)7-8-19-15-31-22-21(19)29-23(18-9-11-27-12-10-18)30-24(22)28-14-20(26)13-17-5-3-2-4-6-17/h2-6,9-12,15-16,20H,13-14,26H2,1H3,(H,28,29,30)/t16-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPSDEEPMBSDBDB-UZLBHIALSA-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