Molecular Properties | |
SMILES: | CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 |
MW: | 304.318 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 57.69 |
cLogP: | 0.8176 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z30727410 |
Mcule: | MCULE-1154099509 |
Mcule Ultimate: | IQKBRWMUAKOXSG-UHFFFAOYSA-N |
MolPort: | MolPort-047-311-481 |
Activity Data | |
Average Inhibition @ 20 µM - Fluorescence: | -1.416076 |
Average Inhibition @ 50 µM - Fluorescence: | 4.1838815 |
Relative Solubility @ 20 µM: | 1.0 |
Relative Solubility @ 100 µM: | 1.0 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-17 |
Activated haloaromatics
Hetero_hetero
LON-WEI-8f408cad-3
JAG-SYN-9c2cd0bd-1
0.680
MAR-TRE-6a44bbf2-4
0.667
AAR-POS-d2a4d1df-32
0.667
LON-WEI-8f408cad-2
0.667
JAG-SYN-9c2cd0bd-2
0.667
MAK-UNK-10dfa458-27
0.667
JAG-SYN-9c2cd0bd-12
0.630
JAG-SYN-9c2cd0bd-13
0.630
MAK-UNK-902cc841-9
0.591
MAK-UNK-902cc841-10
0.574
BEN-DND-76ad4ac9-12
0.559
JAG-SYN-9c2cd0bd-15
0.556
JAG-SYN-9c2cd0bd-11
0.537
NAU-LAT-64f4b287-1
0.531
MAK-UNK-6435e6c2-5
0.519
BEN-DND-76ad4ac9-2
0.518
MAK-UNK-6435e6c2-1
0.481
ALE-MCD-a1893bfb-1
0.463
SWA-SYN-6423ea73-4
0.453
SWA-SYN-d2e6fa14-4
0.453
MAK-UNK-6435e6c2-11
0.444
MAK-UNK-6435e6c2-10
0.444
MAK-UNK-4c6b313a-1
0.444
ANT-OPE-7824651a-2
0.443
MAK-UNK-23561bf6-1
0.411
JAG-SYN-9c2cd0bd-10
0.403
ANT-OPE-7824651a-1
0.397
DAN-MCD-5c762fbe-1
0.387
WIL-LEE-23e8b574-1
0.373
MAR-TRE-6a44bbf2-8
0.359
AAR-POS-d2a4d1df-34
0.359
KEN-MCD-6084b33e-1
0.358
MAK-UNK-3f402c2b-9
0.358
JOE-SYG-2c9a1216-3
0.351
JOE-SYG-2c9a1216-1
0.347
AAR-POS-d2a4d1df-23
0.344
LON-WEI-8f408cad-4
0.344
MAR-TRE-6a44bbf2-18
0.344
MAK-UNK-10dfa458-5
0.344
DAN-MCD-50ec7d1f-1
0.344
MAK-UNK-902cc841-7
0.342
MAK-UNK-10dfa458-29
0.338
MAK-UNK-7c9d1431-11
0.338
TAT-ENA-80bfd3e5-43
0.338
MAR-TRE-6a44bbf2-65
0.338
MAK-UNK-902cc841-8
0.333
ALE-MCD-4ac17b19-1
0.333
JON-UIO-066ce08b-6
0.333
ABB-MCD-f8003a30-1
0.333
MAR-TRE-6a44bbf2-32
0.333
BEN-DND-76ad4ac9-11
0.329
JAN-GHE-bf40f168-1
0.326
NIM-UNI-05f93fcc-11
0.324
SAD-SAT-bc31ec01-9
0.323
JON-UNI-bb9dc649-16
0.317
MAK-UNK-7c9d1431-10
0.313
JON-UNI-bb9dc649-11
0.313
MAK-UNK-10dfa458-4
0.312
LON-WEI-8f408cad-3
0.312
MAR-TRE-6a44bbf2-52
0.312
MAR-TRE-6a44bbf2-58
0.312
MAR-TRE-6a44bbf2-68
0.312
KAY-MCD-d0fe5261-1
0.312
AAR-POS-d2a4d1df-22
0.312
AAR-POS-d2a4d1df-27
0.312
MAR-LAB-efb042c5-5
0.312
NIM-UNI-05f93fcc-3
0.311
BEN-DND-76ad4ac9-14
0.310
IND-SYN-6c8299e8-2
0.310
MAR-TRE-6a44bbf2-78
0.308
JOE-SYG-2c9a1216-2
0.308
MAK-UNK-7c9d1431-12
0.308
MAK-UNK-7c9d1431-13
0.308
MAK-UNK-10dfa458-26
0.308
MAR-TRE-6a44bbf2-24
0.303
MAK-UNK-7c9d1431-9
0.302
MAT-POS-b5746674-55
0.302
MAR-TRE-6a44bbf2-21
0.302
NIM-UNI-05f93fcc-2
0.301
KRI-MAR-d2e3ef86-4
0.301
MAT-POS-916a2c5a-3
0.301
SAD-SAT-bc31ec01-10
0.300
MAK-UNK-10dfa458-18
0.297
JON-UIO-066ce08b-1
0.297
AAR-POS-d2a4d1df-44
0.297
MAK-UNK-212f693e-1
0.295
SAD-SAT-9a6c5cf3-10
0.295
JON-UIO-066ce08b-4
0.294
MAT-POS-590ac91e-70
0.294
MAK-UNK-10dfa458-46
0.292
AAR-POS-0daf6b7e-15
0.292
MAT-POS-ee51dedd-2
0.292
MAK-UNK-7c9d1431-4
0.292
TAT-ENA-80bfd3e5-25
0.292
IND-SYN-6c8299e8-7
0.289
BEN-DND-7e92b6ca-8
0.289
SAD-SAT-b55127ae-5
0.288
NIM-UNI-05f93fcc-1
0.288
JAN-GHE-1d98ec1c-6
0.288
LON-WEI-b8d98729-4
0.284