General Information of the Compound
| Compound ID |
CP0469676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-1-[(5aS,9aR)-1-pyrazin-2-yl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25ClF3N7O
|
||||||||||||||||||
| Molecular Weight |
507.948
|
||||||||||||||||||
| Canonical SMILES |
Cl.N[C@@H](CC(=O)N1CC[C@@H]2[C@@H](CCc3nnc(-c4cnccn4)n23)C1)Cc1cc(F)c(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24F3N7O.ClH/c24-16-10-18(26)17(25)8-14(16)7-15(27)9-22(34)32-6-3-20-13(12-32)1-2-21-30-31-23(33(20)21)19-11-28-4-5-29-19;/h4-5,8,10-11,13,15,20H,1-3,6-7,9,12,27H2;1H/t13-,15+,20+;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBQCUPQUZRFCAQ-RFXIGBPJSA-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