General Information of the Compound
| Compound ID |
CP0745048
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-tert-butyl methyl(1-(5-methyl-1-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N6O4S
|
||||||||||||||||||
| Molecular Weight |
458.544
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cnn1-c1nc2ccsc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N6O4S/c1-12-14(10-22-27(12)19-23-15-7-9-32-16(15)17(28)24-19)18(29)26-8-6-13(11-26)25(5)20(30)31-21(2,3)4/h7,9-10,13H,6,8,11H2,1-5H3,(H,23,24,28)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEOYLCCHAXCFJU-CYBMUJFWSA-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