General Information of the Compound
| Compound ID |
CP0041790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,4-diaminopyrimidine-based antagonist, 14c
Show/Hide
|
||||||||||||||||||
| Synonyms |
2,4-diaminopyrimidine-based antagonist, 14c
Abbott 14c
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N6O2
|
||||||||||||||||||
| Molecular Weight |
420.517
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N6O2/c1-23(2,3)29-22(30)26-17-11-9-16(10-12-17)19-18(27-21(25)28-20(19)24)14-31-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,26,29,30)(H4,24,25,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLBYOWASRACYDH-UHFFFAOYSA-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
Clinical Information about the Compound