General Information of the Compound
| Compound ID |
CP0548851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-chloro-2-(trifluoromethyl)pyridin-4-yl]-[(6S)-1-(1-ethylpyrazol-3-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17ClF3N7O
|
||||||||||||||||||
| Molecular Weight |
439.829
|
||||||||||||||||||
| Canonical SMILES |
CCn1ccc(n1)-n1nnc2CN([C@@H](C)Cc12)C(=O)c1ccnc(c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17ClF3N7O/c1-3-27-7-5-14(25-27)29-13-8-10(2)28(9-12(13)24-26-29)17(30)11-4-6-23-16(15(11)19)18(20,21)22/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOJCNUSMYFQWPW-JTQLQIEISA-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7