General Information of the Compound
| Compound ID |
CP0431944
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13i
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N6O2
|
||||||||||||||||||
| Molecular Weight |
440.507
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2cccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N6O2/c26-24-23(21(30-25(27)31-24)16-33-15-17-5-2-1-3-6-17)19-8-10-20(11-9-19)29-22(32)13-18-7-4-12-28-14-18/h1-12,14H,13,15-16H2,(H,29,32)(H4,26,27,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFCPBMNBYFSYKR-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