Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)c2cccs2)CC1 |
MW: | 322.02 |
Fraction sp3: | 0.55 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.21 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 7.23905298331297 |
Order Status | |
Shipped: | 2021-05-26 |
Hetero_hetero
BEN-DND-76ad4ac9-13
1.000
LON-WEI-8f408cad-3
0.811
MAR-TRE-6a44bbf2-52
0.811
AAR-POS-d2a4d1df-22
0.811
SAD-SAT-f2e2579e-8
0.710
MAK-UNK-6435e6c2-1
0.586
MAK-UNK-10dfa458-26
0.565
BEN-DND-03406596-2
0.552
BEN-DND-76ad4ac9-12
0.552
BEN-DND-03ad4429-7
0.548
MAK-UNK-10dfa458-4
0.548
BEN-DND-03406596-3
0.544
BEN-DND-76ad4ac9-14
0.544
BEN-DND-03406596-9
0.544
BEN-DND-76ad4ac9-11
0.544
BEN-DND-76ad4ac9-1
0.540
BEN-DND-03406596-8
0.537
BEN-DND-03ad4429-8
0.521
BEN-DND-76ad4ac9-10
0.500
BEN-DND-03406596-6
0.500
AAR-POS-0daf6b7e-15
0.477
MAK-UNK-69bf97dd-10
0.470
NIM-UNI-05f93fcc-1
0.470
DRR-IMP-dff87f5e-4
0.469
MAK-UNK-7c9d1431-9
0.469
MAR-TRE-6a44bbf2-21
0.469
BEN-DND-03406596-1
0.465
BEN-DND-76ad4ac9-9
0.465
BEN-DND-03ad4429-5
0.459
MAK-UNK-987948f6-15
0.456
MAT-POS-ee51dedd-2
0.455
BEN-DND-03ad4429-6
0.455
SAD-SAT-f2e2579e-9
0.451
MAR-TRE-6a44bbf2-4
0.448
LON-WEI-8f408cad-2
0.448
AAR-POS-d2a4d1df-32
0.448
MAK-UNK-7c9d1431-12
0.448
DRR-IMP-dff87f5e-5
0.435
MAR-TRE-6a44bbf2-8
0.435
AAR-POS-d2a4d1df-34
0.435
NIM-UNI-05f93fcc-13
0.434
PEI-IMP-ca0b2813-2
0.433
NIM-UNI-05f93fcc-5
0.429
NIM-UNI-05f93fcc-2
0.427
SAD-SAT-3a925b8b-3
0.426
MAK-UNK-3f402c2b-1
0.425
NIM-UNI-310206f0-69
0.421
MAR-TRE-6a44bbf2-18
0.420
LON-WEI-8f408cad-4
0.420
AAR-POS-d2a4d1df-23
0.420
BEN-DND-03406596-10
0.420
DRR-IMP-dff87f5e-3
0.418
AAR-POS-d2a4d1df-44
0.418
NIM-UNI-05f93fcc-3
0.416
PEI-IMP-ca0b2813-1
0.414
MAK-UNK-7c9d1431-17
0.414
DRR-IMP-dff87f5e-6
0.414
NIM-UNI-05f93fcc-11
0.413
SAD-SAT-3a925b8b-2
0.412
DRR-IMP-dff87f5e-1
0.412
AAR-POS-d2a4d1df-27
0.412
KAY-MCD-d0fe5261-1
0.412
MAR-TRE-6a44bbf2-58
0.412
MAR-LAB-efb042c5-5
0.412
MAR-TRE-6a44bbf2-68
0.412
DRR-IMP-db50bf6e-5
0.412
DRR-IMP-dff87f5e-7
0.412
MAR-TRE-6a44bbf2-7
0.411
AAR-POS-d2a4d1df-37
0.411
ABB-MCD-f8003a30-1
0.408
MAR-TRE-6a44bbf2-32
0.408
DRR-IMP-dff87f5e-8
0.408
JAY-UNK-11f5bdbd-1
0.406
MAR-TRE-6a44bbf2-78
0.406
MAK-UNK-7c9d1431-13
0.406
SAD-SAT-3a925b8b-6
0.406
DRR-IMP-db50bf6e-4
0.405
WAR-XCH-79d12f6e-6
0.403
MAR-TRE-6a44bbf2-13
0.403
AAR-POS-d2a4d1df-36
0.403
RHE-UNK-eb059eb9-1
0.403
AAR-POS-0daf6b7e-3
0.403
NIM-UNI-05f93fcc-14
0.403
NIM-UNI-05f93fcc-6
0.400
NIM-UNI-05f93fcc-10
0.400
NIM-UNI-05f93fcc-15
0.400
IND-SYN-6c8299e8-2
0.400
PEI-IMP-ca0b2813-3
0.400
AHN-SAT-b1e6fbb2-1
0.400
SAD-SAT-9a6c5cf3-2
0.398
KAT-UNK-b2a0d5b1-1
0.397
SAD-SAT-bc31ec01-5
0.397
PEI-IMP-668afc53-1
0.395
MAK-UNK-7c9d1431-30
0.395
MAR-TRE-6a44bbf2-45
0.395
MAK-UNK-c74072e5-8
0.394
MAR-TRE-6a44bbf2-26
0.394
DRR-IMP-dff87f5e-9
0.394
MAK-UNK-7c9d1431-6
0.394
MAK-UNK-7c9d1431-8
0.394