Molecular Properties | |
SMILES: | O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 |
MW: | 374.11 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-07-07 |
Activated haloaromatics
Hetero_hetero
vinyl michael acceptor1
phenylethene
BEN-DND-03ad4429-3
0.625
MAK-UNK-10dfa458-5
0.625
AAR-POS-d2a4d1df-23
0.600
BEN-DND-03406596-10
0.600
LON-WEI-8f408cad-4
0.600
MAR-TRE-6a44bbf2-18
0.600
MAK-UNK-6435e6c2-5
0.562
BEN-DND-03ad4429-8
0.562
DAN-MCD-50ec7d1f-1
0.552
MAK-UNK-10dfa458-29
0.544
DAN-MCD-5c762fbe-1
0.529
BEN-DND-76ad4ac9-14
0.521
BEN-DND-03406596-3
0.521
IND-SYN-6c8299e8-7
0.468
BEN-DND-76ad4ac9-6
0.444
IND-SYN-6c8299e8-2
0.442
PEI-IMP-3d837503-2
0.435
DRR-IMP-dff87f5e-8
0.432
MAK-UNK-7c9d1431-9
0.429
MAR-TRE-6a44bbf2-21
0.429
BEN-DND-03ad4429-1
0.426
KEN-MCD-4729dc98-1
0.419
MAK-UNK-902cc841-8
0.416
MAR-TRE-6a44bbf2-65
0.416
MAK-UNK-7c9d1431-11
0.416
TAT-ENA-80bfd3e5-43
0.416
ANT-OPE-7824651a-2
0.413
MAR-TRE-6a44bbf2-32
0.413
ABB-MCD-f8003a30-1
0.413
MAK-UNK-902cc841-7
0.409
ZAC-MCD-b48cf8fd-1
0.406
TAT-ENA-80bfd3e5-25
0.405
MAK-UNK-7c9d1431-4
0.405
PEI-IMP-ca0b2813-3
0.405
KAY-MCD-59dc2eb3-1
0.404
MAC-MCD-4707377b-1
0.400
MAK-UNK-7c9d1431-10
0.395
BEN-DND-03ad4429-2
0.387
ABB-MCD-f549d731-1
0.386
MAK-UNK-7c9d1431-27
0.382
NAU-LAT-64f4b287-1
0.381
KEN-MCD-6084b33e-1
0.380
MAR-TRE-6a44bbf2-58
0.378
KAY-MCD-d0fe5261-1
0.378
DRR-IMP-dff87f5e-1
0.378
JAY-UNK-11f5bdbd-1
0.373
NAU-LAT-f723e322-6
0.372
MAK-UNK-7c9d1431-3
0.370
DRR-IMP-dff87f5e-2
0.370
PEI-IMP-3d837503-4
0.370
MAK-UNK-7c9d1431-8
0.364
MAR-TRE-6a44bbf2-26
0.364
KAT-UNK-b2a0d5b1-1
0.350
MAK-UNK-7c9d1431-5
0.349
MAK-UNK-7c9d1431-7
0.349
MAR-TRE-6a44bbf2-49
0.349
MAR-TRE-6a44bbf2-31
0.349
ALE-MCD-a1893bfb-1
0.347
PEI-IMP-ca0b2813-1
0.346
MAK-UNK-7c9d1431-19
0.346
MAK-UNK-3f402c2b-2
0.345
MAR-TRE-6a44bbf2-68
0.342
MAR-LAB-efb042c5-5
0.342
JAG-SYN-9c2cd0bd-1
0.342
AAR-POS-d2a4d1df-27
0.342
ZAC-MCD-2bc172dc-1
0.342
MAT-POS-590ac91e-57
0.340
MAR-TRE-6a44bbf2-4
0.338
LON-WEI-8f408cad-2
0.338
AAR-POS-d2a4d1df-32
0.338
BEN-DND-76ad4ac9-7
0.338
GIA-UNK-7337c2f3-5
0.337
MIK-MCD-8542a490-1
0.337
DRR-IMP-dff87f5e-4
0.333
SAD-SAT-2ceae68f-1
0.333
MAK-UNK-7c9d1431-1
0.329
MAR-TRE-6a44bbf2-38
0.329
ANT-OPE-7824651a-1
0.329
BEN-DND-03406596-8
0.329
MAR-TRE-6a44bbf2-8
0.329
DRR-IMP-dff87f5e-5
0.329
DRR-IMP-dff87f5e-6
0.329
AAR-POS-d2a4d1df-34
0.329
SAD-SAT-bc31ec01-5
0.329
MAK-UNK-10dfa458-18
0.329
DRR-IMP-dff87f5e-3
0.329
AAR-POS-d2a4d1df-44
0.329
MAT-POS-590ac91e-56
0.326
BEN-DND-03406596-6
0.326
BEN-DND-76ad4ac9-10
0.326
SAD-SAT-3a925b8b-2
0.325
DRR-IMP-dff87f5e-7
0.325
MAT-POS-ee51dedd-2
0.325
PEI-IMP-ca0b2813-2
0.325
MAK-UNK-c74072e5-9
0.323
MAK-UNK-7c9d1431-2
0.322
MAR-TRE-6a44bbf2-36
0.322
MAR-TRE-6a44bbf2-78
0.321
MAK-UNK-7c9d1431-13
0.321
SAD-SAT-b55127ae-5
0.321