General Information of the Compound
| Compound ID |
CP0351745
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Cyclopropanecarboxylic acid {5-[4-(3-cyano-azetidine-1- carbonyl)-phenyl]- [1,2,4]triazolo[1,5-a]pyridin-2- yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N6O2
|
||||||||||||||||||
| Molecular Weight |
386.415
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CC(C3)C#N)n2n1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N6O2/c22-10-13-11-26(12-13)20(29)16-8-4-14(5-9-16)17-2-1-3-18-23-21(25-27(17)18)24-19(28)15-6-7-15/h1-5,8-9,13,15H,6-7,11-12H2,(H,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJIPUHBJFPJUGH-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 | |||||||||||||||||||