General Information of the Compound
| Compound ID |
CP0507493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[3-[4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboximidamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C24H27ClN8O2
|
||||||||||||||||||
| Molecular Weight |
494.987
|
||||||||||||||||||
| Canonical SMILES |
Cl.COc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2noc(C[C@@H]3CCCN3C(N)=N)n2)nn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N8O2.ClH/c1-33-20-10-8-17(9-11-20)21-15-31(30-28-21)14-16-4-6-18(7-5-16)23-27-22(34-29-23)13-19-3-2-12-32(19)24(25)26;/h4-11,15,19H,2-3,12-14H2,1H3,(H3,25,26);1H/t19-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMDHYAFQBXOSDI-FYZYNONXSA-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 | |||||||||||||||||||
| 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