General Information of the Compound
| Compound ID |
CP0866830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-((S)-2-Amino-3-phenyl-propylamino)-2-(3-fluoro-pyridin-4-yl)-thieno[3,2-d]pyrimidin-7-ylethynyl]-cyclobutanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24FN5OS
|
||||||||||||||||||
| Molecular Weight |
473.577
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(C#CC3(O)CCC3)csc12)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24FN5OS/c27-21-15-29-12-8-20(21)24-31-22-18(7-11-26(33)9-4-10-26)16-34-23(22)25(32-24)30-14-19(28)13-17-5-2-1-3-6-17/h1-3,5-6,8,12,15-16,19,33H,4,9-10,13-14,28H2,(H,30,31,32)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSURSLUTJPUVQM-IBGZPJMESA-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