General Information of the Compound
| Compound ID |
CP0447667
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(2-amino-4-methyl-5-oxo-4H-imidazol-3-yl)-6-[4-[[4-(2-amino-4-methyl-5-oxo-4H-imidazol-3-yl)-6-carbamimidamido-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]guanidine;2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F6N20O6
|
||||||||||||||||||
| Molecular Weight |
830.632
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(C)C(=O)N=C3N)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N20O2.2C2HF3O2/c1-7-11(43)31-15(27)41(7)21-37-17(35-19(39-21)33-13(23)24)29-9-3-5-10(6-4-9)30-18-36-20(34-14(25)26)40-22(38-18)42-8(2)12(44)32-16(42)28;2*3-2(4,5)1(6)7/h3-8H,1-2H3,(H2,27,31,43)(H2,28,32,44)(H5,23,24,29,33,35,37,39)(H5,25,26,30,34,36,38,40);2*(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUNFBPVCBDDOEF-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