General Information of the Compound
| Compound ID |
CP0967302
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-but-3-yn-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N5OS
|
||||||||||||||||||
| Molecular Weight |
429.549
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCCO)csc12)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N5OS/c25-20(14-17-6-2-1-3-7-17)15-27-24-22-21(19(16-31-22)8-4-5-13-30)28-23(29-24)18-9-11-26-12-10-18/h1-3,6-7,9-12,16,20,30H,5,13-15,25H2,(H,27,28,29)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIZXALYSEZDVAL-FQEVSTJZSA-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