General Information of the Compound
| Compound ID |
CP0037742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-({4-[5-(5-amino-1,3,4-thiadiazol-2-yl)-3-phenylpyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H,2H,3H-imidazo[4,5-b]pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N8OS
|
||||||||||||||||||
| Molecular Weight |
560.687
|
||||||||||||||||||
| Canonical SMILES |
Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3c4cccnc4[nH]c3=O)cc2)c(c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N8OS/c32-30-37-36-29(41-30)23-17-25(21-5-2-1-3-6-21)27(34-18-23)22-10-8-20(9-11-22)19-38-15-12-24(13-16-38)39-26-7-4-14-33-28(26)35-31(39)40/h1-11,14,17-18,24H,12-13,15-16,19H2,(H2,32,37)(H,33,35,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLLYSDWXMXBDLY-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