General Information of the Compound
| Compound ID |
CP0549701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[7-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]pyridine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F2N9O
|
||||||||||||||||||
| Molecular Weight |
477.479
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](N1CCn2nc(nc2C1)-c1ccc(nc1)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F2N9O/c1-15(23(35,12-33-14-27-13-29-33)19-5-3-17(24)8-20(19)25)32-6-7-34-21(11-32)30-22(31-34)16-2-4-18(9-26)28-10-16/h2-5,8,10,13-15,35H,6-7,11-12H2,1H3/t15-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKUXPYNOBIUMJD-IQMFZBJNSA-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