Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1 |
MW: | 308.812 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.8198 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-23037 |
Enamine REAL: | Z212045150 |
Mcule: | MCULE-2309546619 |
MolPort: | MolPort-002-470-627 |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.16379441290081 |
IC50 (µM) - RapidFire: | 0.556543843367161 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-17 |
Hetero_hetero
AAR-POS-d2a4d1df-1
LON-WEI-8f408cad-3
1.000
MAR-TRE-6a44bbf2-52
1.000
BEN-DND-03406596-5
0.811
BEN-DND-76ad4ac9-13
0.811
MAK-UNK-6435e6c2-1
0.680
MAK-UNK-10dfa458-4
0.630
BEN-DND-03ad4429-7
0.630
MAK-UNK-10dfa458-26
0.618
BEN-DND-76ad4ac9-1
0.618
SAD-SAT-f2e2579e-8
0.618
BEN-DND-03ad4429-8
0.587
AAR-POS-0daf6b7e-15
0.571
DRR-IMP-dff87f5e-4
0.564
NIM-UNI-05f93fcc-1
0.561
MAT-POS-ee51dedd-2
0.544
MAR-TRE-6a44bbf2-21
0.536
MAK-UNK-7c9d1431-9
0.536
MAR-TRE-6a44bbf2-4
0.534
AAR-POS-d2a4d1df-32
0.534
LON-WEI-8f408cad-2
0.534
PEI-IMP-ca0b2813-2
0.517
MAK-UNK-987948f6-15
0.517
MAK-UNK-7c9d1431-12
0.508
NIM-UNI-05f93fcc-13
0.507
BEN-DND-03ad4429-5
0.500
BEN-DND-03406596-10
0.500
MAR-TRE-6a44bbf2-18
0.500
LON-WEI-8f408cad-4
0.500
AAR-POS-d2a4d1df-44
0.500
DRR-IMP-dff87f5e-3
0.500
AAR-POS-d2a4d1df-23
0.500
NIM-UNI-05f93fcc-2
0.500
NIM-UNI-310206f0-69
0.493
PEI-IMP-ca0b2813-1
0.492
DRR-IMP-dff87f5e-6
0.492
MAK-UNK-7c9d1431-17
0.492
MAR-TRE-6a44bbf2-8
0.492
AAR-POS-d2a4d1df-34
0.492
DRR-IMP-dff87f5e-5
0.492
DRR-IMP-db50bf6e-5
0.492
DRR-IMP-dff87f5e-7
0.492
KAY-MCD-d0fe5261-1
0.492
MAR-LAB-efb042c5-5
0.492
SAD-SAT-3a925b8b-2
0.492
AAR-POS-d2a4d1df-27
0.492
MAR-TRE-6a44bbf2-68
0.492
DRR-IMP-dff87f5e-1
0.492
MAR-TRE-6a44bbf2-58
0.492
NIM-UNI-05f93fcc-3
0.485
NIM-UNI-05f93fcc-11
0.485
DRR-IMP-dff87f5e-8
0.484
JAY-UNK-11f5bdbd-1
0.483
MAR-TRE-6a44bbf2-78
0.483
MAK-UNK-7c9d1431-13
0.483
MAK-UNK-69bf97dd-10
0.481
NIM-UNI-05f93fcc-5
0.478
SAD-SAT-bc31ec01-5
0.475
NIM-UNI-05f93fcc-14
0.471
PEI-IMP-ca0b2813-3
0.470
DRR-IMP-dff87f5e-9
0.468
MAK-UNK-7c9d1431-6
0.468
MAR-TRE-6a44bbf2-26
0.468
MAK-UNK-c74072e5-8
0.468
MAK-UNK-7c9d1431-8
0.468
SAD-SAT-3a925b8b-9
0.467
MAK-UNK-d4768348-1
0.467
MAK-UNK-d4768348-4
0.467
AAR-POS-0daf6b7e-16
0.466
NIM-UNI-05f93fcc-10
0.465
NIM-UNI-05f93fcc-15
0.465
NIM-UNI-05f93fcc-6
0.465
MAR-TRE-6a44bbf2-7
0.462
AAR-POS-d2a4d1df-37
0.462
TAT-ENA-80bfd3e5-43
0.462
MAK-UNK-7c9d1431-11
0.462
MAK-UNK-7c9d1431-19
0.462
MAR-TRE-6a44bbf2-65
0.462
ABB-MCD-f8003a30-1
0.460
MAR-TRE-6a44bbf2-32
0.460
MAK-UNK-7c9d1431-10
0.460
MAK-UNK-d4768348-2
0.459
MAK-UNK-d4768348-5
0.459
SAD-SAT-3a925b8b-3
0.459
SAD-SAT-3a925b8b-6
0.459
MAK-UNK-d4768348-8
0.459
NIM-UNI-310206f0-67
0.457
NIM-UNI-05f93fcc-7
0.457
DRR-IMP-db50bf6e-4
0.455
MAK-UNK-3f402c2b-1
0.455
WAR-XCH-79d12f6e-6
0.453
AAR-POS-d2a4d1df-36
0.453
AAR-POS-0daf6b7e-3
0.453
RHE-UNK-eb059eb9-1
0.453
MAR-TRE-6a44bbf2-13
0.453
PEI-IMP-668afc53-2
0.452
MAK-UNK-d4768348-3
0.452
MAK-UNK-d4768348-7
0.452
MAR-TRE-6a44bbf2-24
0.452
NIM-UNI-05f93fcc-17
0.451
NIM-UNI-310206f0-71
0.451