General Information of the Compound
| Compound ID |
CP0381135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(6-oxo-1H-pyridazin-5-yl)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26F5N5O3
|
||||||||||||||||||
| Molecular Weight |
527.494
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)c3ccn[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26F5N5O3/c25-18-3-1-2-16(20(18)26)15-4-5-19(22(36)34(12-15)13-24(27,28)29)31-23(37)33-10-7-14(8-11-33)17-6-9-30-32-21(17)35/h1-3,6,9,14-15,19H,4-5,7-8,10-13H2,(H,31,37)(H,32,35)/t15-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJPBDMFBVGVUFP-DNVCBOLYSA-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