General Information of the Compound
| Compound ID |
CP0280534
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-2-(4-chlorobenzyl)-4-methyl-1-(4-((S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl)pentan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32ClN5OS
|
||||||||||||||||||
| Molecular Weight |
474.074
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1SCc2ncnc(N3CCN(CC3)C(=O)C(Cc3ccc(Cl)cc3)CC(C)(C)N)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32ClN5OS/c1-16-21-20(14-32-16)27-15-28-22(21)29-8-10-30(11-9-29)23(31)18(13-24(2,3)26)12-17-4-6-19(25)7-5-17/h4-7,15-16,18H,8-14,26H2,1-3H3/t16-,18?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBHZHALPFRCFPT-ATNAJCNCSA-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