General Information of the Compound
| Compound ID |
CP0342225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-amino-3-(4-chlorophenyl)-1-(4-(5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26ClN5OS
|
||||||||||||||||||
| Molecular Weight |
431.993
|
||||||||||||||||||
| Canonical SMILES |
CCC1SCc2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(Cl)cc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26ClN5OS/c1-2-18-19-17(12-29-18)24-13-25-20(19)26-7-9-27(10-8-26)21(28)16(23)11-14-3-5-15(22)6-4-14/h3-6,13,16,18H,2,7-12,23H2,1H3/t16-,18?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANUUSLSUVOFECW-PYUWXLGESA-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