General Information of the Compound
| Compound ID |
CP0506014
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(1-(4-methoxybenzyl)-4,6-dioxo-5-phenethyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N7O3
|
||||||||||||||||||
| Molecular Weight |
437.504
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(CCc3ccccc3)c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N7O3/c1-32-18-9-7-17(8-10-18)15-29-20(26-13-12-25-19(23)24)27-21(30)28(22(29)31)14-11-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H4,23,24,25)(H,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBDOFAGOTWCKQB-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