General Information of the Compound
| Compound ID |
CP0037745
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,3,5-trisubstituted pyridine, 10b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H30N8S
|
||||||||||||||||||
| Molecular Weight |
570.726
|
||||||||||||||||||
| Canonical SMILES |
Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)c3cc(n[nH]3)-c3ccccn3)cc2)c(c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H30N8S/c34-33-40-39-32(42-33)26-18-27(23-6-2-1-3-7-23)31(36-20-26)25-11-9-22(10-12-25)21-41-16-13-24(14-17-41)29-19-30(38-37-29)28-8-4-5-15-35-28/h1-12,15,18-20,24H,13-14,16-17,21H2,(H2,34,40)(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOTHDTICZAKUMW-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