Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)Cc2ccccc2)CC1 |
MW: | 330.08 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 57.69 |
cLogP: | 1.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 8.81277149592399 |
Order Status | |
Shipped: | 2021-05-26 |
Hetero_hetero
AAR-POS-d2a4d1df-1
BEN-DND-03406596-1
1.000
MAK-UNK-7c9d1431-23
0.796
MAR-TRE-6a44bbf2-28
0.796
WIL-LEE-23e8b574-1
0.576
KAI-MCD-cb49037b-1
0.508
BEN-DND-76ad4ac9-11
0.479
BEN-DND-03406596-9
0.479
BEN-DND-03406596-3
0.479
BEN-DND-76ad4ac9-14
0.479
BEN-DND-03406596-8
0.471
BEN-DND-03406596-5
0.465
BEN-DND-76ad4ac9-12
0.465
BEN-DND-03406596-2
0.465
BEN-DND-76ad4ac9-13
0.465
BEN-DND-03406596-6
0.459
BEN-DND-76ad4ac9-10
0.459
MAR-TRE-6a44bbf2-21
0.446
MAK-UNK-7c9d1431-9
0.446
DRR-IMP-38dce17f-3
0.429
MAK-UNK-7c9d1431-24
0.429
NAU-LAT-f723e322-5
0.415
MAK-UNK-7c9d1431-27
0.414
MAK-UNK-7c9d1431-12
0.406
AAR-POS-d2a4d1df-34
0.394
MAR-TRE-6a44bbf2-8
0.394
DRR-IMP-dff87f5e-5
0.394
MAK-UNK-af83ef51-2
0.389
DRR-IMP-dff87f5e-4
0.382
BEN-DND-03406596-10
0.380
MAK-UNK-15efde89-1
0.380
GIA-UNK-20b63697-7
0.380
AAR-POS-d2a4d1df-23
0.380
LON-WEI-8f408cad-4
0.380
MAR-TRE-6a44bbf2-18
0.380
KAT-UNK-b2a0d5b1-1
0.378
MAR-TRE-6a44bbf2-7
0.373
AAR-POS-d2a4d1df-37
0.373
NIM-UNI-05f93fcc-2
0.372
AAR-POS-d2a4d1df-22
0.371
LON-WEI-8f408cad-3
0.371
MAR-TRE-6a44bbf2-58
0.371
KAY-MCD-d0fe5261-1
0.371
DRR-IMP-dff87f5e-1
0.371
MAR-TRE-6a44bbf2-52
0.371
ABB-MCD-f8003a30-1
0.370
DRR-IMP-dff87f5e-8
0.370
MAR-TRE-6a44bbf2-32
0.370
DRR-IMP-db50bf6e-4
0.368
LON-WEI-8f408cad-2
0.366
JAY-UNK-11f5bdbd-1
0.366
AAR-POS-d2a4d1df-32
0.366
MAR-TRE-6a44bbf2-4
0.366
PEI-IMP-ca0b2813-4
0.366
SWA-SYN-d2e6fa14-2
0.365
AAR-POS-0daf6b7e-3
0.365
RHE-UNK-eb059eb9-1
0.365
MAR-TRE-6a44bbf2-13
0.365
SWA-SYN-6423ea73-2
0.365
WAR-XCH-79d12f6e-6
0.365
AAR-POS-d2a4d1df-36
0.365
MAK-UNK-7c9d1431-3
0.364
MAK-UNK-987948f6-2
0.364
DRR-IMP-dff87f5e-2
0.364
AHN-SAT-de2502ba-1
0.364
IND-SYN-6c8299e8-2
0.364
KAT-UNK-48001bce-1
0.361
KAT-MCD-525c981a-1
0.361
MAK-UNK-10dfa458-39
0.360
DUN-NEW-f8ce3686-25
0.358
MED-COV-4280ac29-8
0.358
AAR-POS-d2a4d1df-44
0.357
SAD-SAT-bc31ec01-5
0.357
DRR-IMP-dff87f5e-3
0.357
PEI-IMP-ca0b2813-1
0.356
BEN-DND-76ad4ac9-8
0.356
MAR-TRE-6a44bbf2-26
0.356
MAK-UNK-7c9d1431-8
0.356
TAT-ENA-80bfd3e5-43
0.355
AAR-POS-d2a4d1df-41
0.355
MAR-TRE-6a44bbf2-9
0.355
MAR-TRE-6a44bbf2-65
0.355
MAK-UNK-7c9d1431-11
0.355
TAT-ENA-80bfd3e5-20
0.355
STE-KUL-2e0d2e88-7
0.354
SIM-SYN-f15aaa3a-1
0.353
MAT-POS-ee51dedd-2
0.352
SAD-SAT-3a925b8b-2
0.352
AAR-POS-0daf6b7e-15
0.352
MAR-LAB-efb042c5-5
0.352
DRR-IMP-db50bf6e-5
0.352
DRR-IMP-dff87f5e-7
0.352
AAR-POS-d2a4d1df-27
0.352
PEI-IMP-ca0b2813-2
0.352
MAR-TRE-6a44bbf2-68
0.352
MAK-UNK-7c9d1431-21
0.351
SAD-SAT-bc31ec01-4
0.351
MAK-UNK-7c9d1431-10
0.351
WAR-XCH-79d12f6e-7
0.351
DAR-DIA-3e9bbd81-12
0.351
GIA-UNK-7337c2f3-2
0.351