Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 |
MW: | 280.09 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.71 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-07-28 |
Hetero_hetero
MAK-UNK-7c9d1431-9
SAD-SAT-b55127ae-5
0.623
BEN-DND-03ad4429-3
0.611
MAK-UNK-10dfa458-5
0.611
PEI-IMP-3d837503-4
0.596
MAK-UNK-7c9d1431-9
0.596
MAR-TRE-6a44bbf2-21
0.596
PEI-IMP-3d837503-3
0.592
MAK-UNK-10dfa458-18
0.585
BEN-DND-03ad4429-7
0.518
MAK-UNK-10dfa458-4
0.518
JAG-SYN-9c2cd0bd-1
0.518
SAD-SAT-3a925b8b-10
0.509
MAK-UNK-10dfa458-6
0.500
AHN-SAT-02ef6d10-5
0.500
GIA-UNK-5ec6c2b8-4
0.491
JAN-GHE-4287bd1a-1
0.459
PEI-IMP-3d837503-1
0.453
GIA-UNK-595fac82-4
0.443
PEI-IMP-3d837503-5
0.441
AHN-SAT-02ef6d10-7
0.440
BEN-DND-03ad4429-4
0.435
SAD-SAT-1f400d17-1
0.429
BEN-DND-7e92b6ca-7
0.425
GIA-UNK-eaadd1d4-3
0.422
MAK-UNK-6ca90168-12
0.421
GIA-UNK-eaadd1d4-2
0.419
ANT-OPE-7824651a-2
0.413
SCO-CSI-071a6f1c-1
0.410
DAN-MCD-5c762fbe-1
0.403
MAT-POS-590ac91e-58
0.403
MAT-POS-590ac91e-56
0.397
MAT-POS-590ac91e-57
0.397
DRR-IMP-dff87f5e-7
0.393
MAK-UNK-10dfa458-9
0.391
SAD-SAT-2ceae68f-7
0.387
MAK-UNK-6435e6c2-5
0.383
SAD-SAT-bc31ec01-9
0.383
AHN-SAT-02ef6d10-3
0.383
SIM-SYN-a98e6a07-1
0.383
JAR-KUA-41bd5a3d-4
0.382
AAR-POS-d2a4d1df-44
0.377
DRR-IMP-dff87f5e-3
0.377
DRR-IMP-dff87f5e-9
0.375
PEI-IMP-ca0b2813-2
0.371
AAR-POS-d2a4d1df-27
0.371
MAR-TRE-6a44bbf2-68
0.371
MAR-TRE-6a44bbf2-58
0.371
KAY-MCD-d0fe5261-1
0.371
DRR-IMP-dff87f5e-1
0.371
MAR-LAB-efb042c5-5
0.371
BEN-DND-03ad4429-8
0.366
JAR-IMP-ed466bb3-4
0.366
MAK-UNK-7c9d1431-13
0.365
MAR-TRE-6a44bbf2-78
0.365
NAU-LAT-f723e322-6
0.365
SAD-SAT-2ceae68f-4
0.364
NAU-LAT-f723e322-4
0.364
MAK-UNK-4c6b313a-1
0.362
MAK-UNK-6435e6c2-11
0.362
MAK-UNK-6435e6c2-10
0.362
JAG-SYN-9c2cd0bd-3
0.359
MAR-TRE-6a44bbf2-18
0.359
DAN-MCD-50ec7d1f-1
0.359
LON-WEI-8f408cad-4
0.359
AAR-POS-d2a4d1df-23
0.359
BEN-DND-03406596-10
0.359
SAD-SAT-2ceae68f-1
0.355
SAD-SAT-1f400d17-2
0.355
PEI-IMP-ca0b2813-1
0.354
MAK-UNK-c74072e5-8
0.354
MAK-UNK-7c9d1431-17
0.354
DRR-IMP-dff87f5e-6
0.354
ANT-OPE-c0c3e7cc-1
0.354
MAK-UNK-10dfa458-29
0.354
MAK-UNK-7c9d1431-6
0.354
MAK-UNK-10dfa458-8
0.353
SCO-CSI-e56d7cb6-1
0.352
MAK-UNK-6ca90168-21
0.350
SAD-SAT-3a925b8b-2
0.349
DRR-IMP-dff87f5e-8
0.348
DAV-IMP-59dd6621-23
0.344
SAD-SAT-f0a2747f-9
0.343
MAK-UNK-7c9d1431-3
0.343
DRR-IMP-dff87f5e-2
0.343
JAN-GHE-bf40f168-2
0.341
MAT-POS-b5746674-55
0.339
MAK-UNK-7c9d1431-22
0.338
TAT-ENA-80bfd3e5-43
0.333
MAR-TRE-6a44bbf2-65
0.333
MAK-UNK-10dfa458-2
0.333
MAK-UNK-7c9d1431-11
0.333
BEN-DND-03406596-8
0.333
MED-COV-4280ac29-14
0.333
KEN-MCD-6084b33e-1
0.333
SAD-SAT-6b5a89f0-9
0.333
ALE-MCD-a1893bfb-1
0.333
SAD-SAT-b55127ae-2
0.329
SAD-SAT-b55127ae-3
0.329
BAP-BUY-55f8bcae-1
0.329
MAK-UNK-10dfa458-10
0.328