General Information of the Compound
| Compound ID |
CP0954292
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(4-cyclopropyl-3-fluorophenyl)ethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C18H18FN5O2
|
||||||||||||||||||
| Molecular Weight |
355.373
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2cccnn2c1=O)c1ccc(C2CC2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18FN5O2/c1-11(13-6-7-14(12-4-5-12)15(19)9-13)21-17(25)10-23-18(26)24-16(22-23)3-2-8-20-24/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,21,25)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANYSBBRPHMOGCR-NSHDSACASA-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 | |||||||||||||||||||
| 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