Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)c2c(F)cccc2F)CC1 |
MW: | 352.05 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 20.1983860339707 |
Order Status | |
Shipped: | 2021-05-26 |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
BEN-DND-03406596-2
1.000
LON-WEI-8f408cad-2
0.796
AAR-POS-d2a4d1df-32
0.796
MAR-TRE-6a44bbf2-4
0.796
BEN-DND-03406596-9
0.641
BEN-DND-76ad4ac9-11
0.641
BEN-DND-03406596-3
0.615
BEN-DND-76ad4ac9-14
0.615
JAG-SYN-9c2cd0bd-13
0.587
BEN-DND-03406596-8
0.585
BEN-DND-03406596-6
0.565
BEN-DND-76ad4ac9-10
0.565
MAK-UNK-6435e6c2-6
0.559
BEN-DND-03406596-5
0.552
BEN-DND-76ad4ac9-13
0.552
JAG-SYN-9c2cd0bd-2
0.540
BEN-DND-76ad4ac9-2
0.540
MAK-UNK-10dfa458-27
0.540
JAG-SYN-9c2cd0bd-1
0.524
MAR-TRE-6a44bbf2-8
0.523
DRR-IMP-dff87f5e-5
0.523
AAR-POS-d2a4d1df-34
0.523
DRR-IMP-dff87f5e-4
0.516
JAG-SYN-9c2cd0bd-12
0.493
MAR-TRE-6a44bbf2-18
0.485
AAR-POS-d2a4d1df-23
0.485
LON-WEI-8f408cad-4
0.485
BEN-DND-03406596-10
0.485
JAG-SYN-9c2cd0bd-11
0.484
BEN-DND-76ad4ac9-8
0.478
MAR-TRE-6a44bbf2-32
0.471
ABB-MCD-f8003a30-1
0.471
MAK-UNK-7c9d1431-9
0.469
MAR-TRE-6a44bbf2-21
0.469
NAU-LAT-64f4b287-1
0.467
BEN-DND-76ad4ac9-9
0.465
BEN-DND-03406596-1
0.465
IND-SYN-6c8299e8-2
0.458
KAT-UNK-b2a0d5b1-1
0.457
JAG-SYN-9c2cd0bd-15
0.455
MAR-TRE-6a44bbf2-58
0.455
KAY-MCD-d0fe5261-1
0.455
DRR-IMP-dff87f5e-1
0.455
SAD-SAT-bc31ec01-10
0.450
MAK-UNK-7c9d1431-10
0.449
DRR-IMP-dff87f5e-8
0.449
MAK-UNK-7c9d1431-12
0.448
SWA-SYN-6423ea73-4
0.440
SWA-SYN-d2e6fa14-4
0.440
DRR-IMP-dff87f5e-3
0.439
AAR-POS-d2a4d1df-44
0.439
PEI-IMP-ca0b2813-3
0.438
DRR-IMP-db50bf6e-5
0.433
LON-WEI-8f408cad-3
0.433
MAR-TRE-6a44bbf2-52
0.433
AAR-POS-d2a4d1df-22
0.433
MAK-UNK-3f402c2b-9
0.431
MAR-TRE-6a44bbf2-65
0.431
MAK-UNK-7c9d1431-11
0.431
TAT-ENA-80bfd3e5-43
0.431
JOE-SYG-2c9a1216-1
0.430
SAD-SAT-3a925b8b-3
0.426
JAY-UNK-11f5bdbd-1
0.426
SAD-SAT-3a925b8b-6
0.426
DRR-IMP-db50bf6e-4
0.425
MAK-UNK-7c9d1431-4
0.419
TAT-ENA-80bfd3e5-25
0.419
JOE-SYG-2c9a1216-3
0.418
DRR-IMP-dff87f5e-6
0.414
MAK-UNK-7c9d1431-6
0.414
PEI-IMP-ca0b2813-1
0.414
SAD-SAT-9a6c5cf3-10
0.412
SAD-SAT-3a925b8b-2
0.412
AAR-POS-0daf6b7e-15
0.412
MAR-LAB-efb042c5-5
0.412
DRR-IMP-dff87f5e-7
0.412
MAR-TRE-6a44bbf2-68
0.412
AAR-POS-d2a4d1df-27
0.412
MAT-POS-ee51dedd-2
0.412
PEI-IMP-ca0b2813-2
0.412
AAR-POS-d2a4d1df-37
0.411
MAR-TRE-6a44bbf2-7
0.411
MAK-UNK-902cc841-9
0.410
NIM-UNI-05f93fcc-2
0.408
MAR-TRE-6a44bbf2-78
0.406
NIM-UNI-05f93fcc-1
0.406
MAK-UNK-7c9d1431-13
0.406
SAD-SAT-f2e2579e-8
0.405
AAR-POS-0daf6b7e-3
0.403
RHE-UNK-eb059eb9-1
0.403
MAR-TRE-6a44bbf2-13
0.403
WAR-XCH-79d12f6e-6
0.403
AAR-POS-d2a4d1df-36
0.403
MAK-UNK-902cc841-10
0.400
KAT-UNK-48001bce-1
0.400
MAR-TRE-6a44bbf2-24
0.400
KAT-MCD-525c981a-1
0.400
SAD-SAT-9a6c5cf3-2
0.398
NIM-UNI-05f93fcc-3
0.397
SAD-SAT-bc31ec01-5
0.397