Molecular Properties | |
SMILES: | COc1ccc(-c2ccsc2S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1 |
MW: | 414.05 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 66.92 |
cLogP: | 2.5 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.05230950730921 |
Order Status | |
Shipped: | 2021-07-28 |
Hetero_hetero
LON-WEI-8f408cad-3
PEI-IMP-668afc53-1
0.557
MAK-UNK-7c9d1431-17
0.535
NIM-UNI-05f93fcc-15
0.525
AAR-POS-d2a4d1df-22
0.452
MAR-TRE-6a44bbf2-52
0.452
LON-WEI-8f408cad-3
0.452
MAK-UNK-7c9d1431-30
0.450
MAR-TRE-6a44bbf2-45
0.450
PEI-IMP-ca0b2813-3
0.438
MAK-UNK-7c9d1431-22
0.418
AAR-POS-d2a4d1df-27
0.413
MAR-TRE-6a44bbf2-68
0.413
MAR-LAB-efb042c5-5
0.413
MAT-POS-ee51dedd-2
0.413
MAK-UNK-7c9d1431-19
0.412
NIM-UNI-05f93fcc-1
0.408
MAR-TRE-6a44bbf2-21
0.405
MAK-UNK-7c9d1431-9
0.405
AAR-POS-0daf6b7e-18
0.405
DRR-IMP-dff87f5e-4
0.405
DRR-IMP-dff87f5e-2
0.402
MAK-UNK-7c9d1431-3
0.402
NIM-UNI-05f93fcc-11
0.398
DRR-IMP-dff87f5e-1
0.395
KAY-MCD-d0fe5261-1
0.395
AAR-POS-0daf6b7e-15
0.395
MAR-TRE-6a44bbf2-58
0.395
SAD-SAT-3a925b8b-2
0.395
BEN-DND-76ad4ac9-13
0.390
BAP-BUY-55f8bcae-1
0.390
BEN-DND-03406596-5
0.390
MAK-UNK-d4768348-2
0.390
MAK-UNK-7c9d1431-13
0.390
MAR-TRE-6a44bbf2-78
0.390
MAK-UNK-d4768348-7
0.385
NIM-UNI-05f93fcc-13
0.384
AAR-POS-d2a4d1df-44
0.382
DRR-IMP-dff87f5e-3
0.382
MAK-UNK-c74072e5-8
0.380
MAK-UNK-7c9d1431-8
0.380
MAR-TRE-6a44bbf2-77
0.380
MAR-TRE-6a44bbf2-26
0.380
MAK-UNK-d4768348-9
0.378
PEI-IMP-ca0b2813-2
0.377
DRR-IMP-db50bf6e-5
0.377
DRR-IMP-dff87f5e-7
0.377
NIM-UNI-05f93fcc-2
0.376
MAR-TRE-6a44bbf2-32
0.375
ABB-MCD-f8003a30-1
0.375
NIM-UNI-05f93fcc-14
0.372
MAK-UNK-7c9d1431-12
0.372
MAR-TRE-6a44bbf2-4
0.372
MAK-UNK-d4768348-5
0.372
AAR-POS-d2a4d1df-32
0.372
LON-WEI-8f408cad-2
0.372
SAD-SAT-3a925b8b-3
0.372
JAY-UNK-11f5bdbd-1
0.372
WAR-XCH-79d12f6e-6
0.370
RHE-UNK-eb059eb9-1
0.370
MAR-TRE-6a44bbf2-13
0.370
AAR-POS-d2a4d1df-36
0.370
AAR-POS-0daf6b7e-3
0.370
BEN-DND-03406596-10
0.367
AAR-POS-d2a4d1df-23
0.367
MAR-TRE-6a44bbf2-18
0.367
LON-WEI-8f408cad-4
0.367
NIM-UNI-05f93fcc-7
0.364
SAD-SAT-bc31ec01-5
0.364
MAK-UNK-7c9d1431-6
0.362
MAR-TRE-6a44bbf2-8
0.362
AAR-POS-d2a4d1df-34
0.362
DRR-IMP-dff87f5e-5
0.362
DRR-IMP-dff87f5e-6
0.362
DRR-IMP-dff87f5e-9
0.362
PEI-IMP-ca0b2813-1
0.362
TAT-ENA-80bfd3e5-43
0.361
MAK-UNK-7c9d1431-11
0.361
MAR-TRE-6a44bbf2-65
0.361
NIM-UNI-310206f0-71
0.360
MAK-UNK-d4768348-1
0.359
SAD-SAT-3a925b8b-9
0.359
MAK-UNK-d4768348-4
0.359
MAK-UNK-7c9d1431-10
0.358
DRR-IMP-dff87f5e-8
0.358
DRR-IMP-db50bf6e-4
0.357
NIM-UNI-310206f0-69
0.356
GIA-UNK-4de5abb1-5
0.356
NIM-UNI-05f93fcc-10
0.356
PEI-IMP-ca0b2813-4
0.356
MAK-UNK-d4768348-8
0.354
SAD-SAT-3a925b8b-6
0.354
IND-SYN-6c8299e8-2
0.353
NIM-UNI-05f93fcc-3
0.352
MAK-UNK-c74072e5-9
0.351
MAR-TRE-6a44bbf2-24
0.350
MAK-UNK-d4768348-3
0.350
KAT-UNK-b2a0d5b1-1
0.349
NIM-UNI-310206f0-67
0.348
NIM-UNI-05f93fcc-5
0.348
MAK-UNK-7c9d1431-27
0.346