General Information of the Compound
| Compound ID |
CP0468792
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-1-[(5aR,9aS)-1-(trifluoromethyl)-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
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21F6N5O
|
||||||||||||||||||
| Molecular Weight |
461.41
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CC(=O)N1CC[C@H]2[C@H](CCc3nnc(n23)C(F)(F)F)C1)Cc1cc(F)c(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21F6N5O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-18(32)30-4-3-16-10(9-30)1-2-17-28-29-19(31(16)17)20(24,25)26/h6,8,10,12,16H,1-5,7,9,27H2/t10-,12-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCCNKZPGMKJBKG-SIVJFFJCSA-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