General Information of the Compound
| Compound ID |
CP0391170
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methylphenyl)-3-[5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16N6O2S2
|
||||||||||||||||||
| Molecular Weight |
424.511
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1NC(=O)Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16N6O2S2/c1-12-6-2-3-7-14(12)21-17(27)22-18-23-24-19(29-18)28-11-13-10-16(26)25-9-5-4-8-15(25)20-13/h2-10H,11H2,1H3,(H2,21,22,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWPDJVRLHVUTDM-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
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor