Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)c2cccc(F)c2)CC1 |
MW: | 334.06 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 17.2367639001554 |
Order Status | |
Shipped: | 2021-05-26 |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
BEN-DND-03406596-3
1.000
BEN-DND-03406596-10
0.800
LON-WEI-8f408cad-4
0.800
MAR-TRE-6a44bbf2-18
0.800
AAR-POS-d2a4d1df-23
0.800
BEN-DND-03406596-8
0.677
DAN-MCD-50ec7d1f-1
0.650
BEN-DND-03406596-2
0.615
BEN-DND-76ad4ac9-12
0.615
IND-SYN-6c8299e8-2
0.606
BEN-DND-76ad4ac9-10
0.603
BEN-DND-03406596-6
0.603
MAK-UNK-6435e6c2-5
0.583
BEN-DND-03406596-9
0.582
BEN-DND-76ad4ac9-11
0.582
DRR-IMP-dff87f5e-8
0.578
BEN-DND-76ad4ac9-6
0.571
MAK-UNK-10dfa458-29
0.562
ABB-MCD-f8003a30-1
0.554
MAR-TRE-6a44bbf2-32
0.554
TAT-ENA-80bfd3e5-43
0.552
MAK-UNK-7c9d1431-11
0.552
MAR-TRE-6a44bbf2-65
0.552
MAK-UNK-10dfa458-5
0.547
DAN-MCD-5c762fbe-1
0.547
BEN-DND-03ad4429-3
0.547
BEN-DND-03406596-5
0.544
BEN-DND-76ad4ac9-13
0.544
IND-SYN-6c8299e8-7
0.542
TAT-ENA-80bfd3e5-25
0.536
MAK-UNK-7c9d1431-4
0.536
PEI-IMP-ca0b2813-3
0.536
MAK-UNK-7c9d1431-9
0.532
MAR-TRE-6a44bbf2-21
0.532
JAY-UNK-11f5bdbd-1
0.531
MAK-UNK-7c9d1431-10
0.530
MAC-MCD-4707377b-1
0.529
BEN-DND-03ad4429-4
0.521
MAR-TRE-6a44bbf2-58
0.516
DRR-IMP-dff87f5e-1
0.516
KAY-MCD-d0fe5261-1
0.516
KAT-UNK-b2a0d5b1-1
0.493
MAK-UNK-7c9d1431-8
0.493
MAR-TRE-6a44bbf2-26
0.493
MAR-TRE-6a44bbf2-36
0.486
MAK-UNK-7c9d1431-2
0.486
MAR-TRE-6a44bbf2-4
0.485
LON-WEI-8f408cad-2
0.485
AAR-POS-d2a4d1df-32
0.485
BEN-DND-03ad4429-1
0.484
BEN-DND-76ad4ac9-9
0.479
BEN-DND-03406596-1
0.479
BEN-DND-76ad4ac9-7
0.478
BEN-DND-03ad4429-2
0.478
DRR-IMP-dff87f5e-2
0.472
MAK-UNK-7c9d1431-3
0.472
AAR-POS-d2a4d1df-34
0.471
PEI-IMP-ca0b2813-1
0.471
DRR-IMP-dff87f5e-5
0.471
MAR-TRE-6a44bbf2-8
0.471
MAR-TRE-6a44bbf2-31
0.466
MAK-UNK-7c9d1431-7
0.466
MAR-TRE-6a44bbf2-49
0.466
MAK-UNK-7c9d1431-5
0.466
MAK-UNK-7c9d1431-19
0.465
SAD-SAT-3a925b8b-3
0.463
DRR-IMP-dff87f5e-4
0.462
MAK-UNK-7c9d1431-1
0.459
MAK-UNK-3f402c2b-2
0.459
MAR-TRE-6a44bbf2-38
0.459
SAD-SAT-bc31ec01-5
0.455
DRR-IMP-dff87f5e-3
0.455
AAR-POS-d2a4d1df-44
0.455
MAK-UNK-7c9d1431-17
0.449
DRR-IMP-dff87f5e-6
0.449
MAR-TRE-6a44bbf2-68
0.448
DRR-IMP-dff87f5e-7
0.448
MAT-POS-ee51dedd-2
0.448
SAD-SAT-3a925b8b-2
0.448
PEI-IMP-ca0b2813-2
0.448
MAR-LAB-efb042c5-5
0.448
AAR-POS-d2a4d1df-27
0.448
KEN-MCD-6084b33e-1
0.444
SAD-SAT-9a6c5cf3-2
0.444
SAD-SAT-f2e2579e-2
0.443
SAD-SAT-bc31ec01-4
0.443
MAR-TRE-6a44bbf2-78
0.441
MAK-UNK-7c9d1431-12
0.441
MAK-UNK-7c9d1431-13
0.441
ABB-MCD-f549d731-1
0.436
MAK-UNK-902cc841-7
0.434
MAK-UNK-7c9d1431-22
0.431
DRR-IMP-dff87f5e-9
0.429
MAK-UNK-c74072e5-8
0.429
MAK-UNK-7c9d1431-6
0.429
MAK-UNK-7c9d1431-30
0.427
MAR-TRE-6a44bbf2-45
0.427
AAR-POS-d2a4d1df-22
0.426
LON-WEI-8f408cad-3
0.426
MAR-TRE-6a44bbf2-52
0.426