Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cccs2)CC1 |
MW: | 258.774 |
Fraction sp3: | 0.55 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 1.6311 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1562120010 |
Enamine Extended REAL: | m_270062____7596146____8147258 |
Mcule: | MCULE-3720619203 |
MolPort: | MolPort-005-310-781 |
Activity Data | |
IC50 (µM) - Fluorescence: | 6.21715846524976 |
IC50 (µM) - RapidFire: | 3.3163834595747 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-17 |
AAR-POS-d2a4d1df-1
LON-WEI-8f408cad-5
1.000
MAK-UNK-6435e6c2-2
0.673
MAK-UNK-10dfa458-2
0.623
MAK-UNK-10dfa458-21
0.611
AAR-POS-0daf6b7e-2
0.564
JOH-UNI-27ac80fd-23
0.554
AAR-POS-0daf6b7e-12
0.554
MAK-UNK-7c9d1431-24
0.528
DRR-IMP-38dce17f-3
0.528
LON-WEI-8f408cad-7
0.518
MAK-UNK-212f693e-8
0.518
AAR-POS-0daf6b7e-13
0.518
DRR-IMP-38dce17f-6
0.509
MAK-UNK-7c9d1431-28
0.509
NAU-LAT-64f4b287-3
0.507
DRR-IMP-38dce17f-4
0.500
DRR-IMP-38dce17f-1
0.491
MAK-UNK-7c9d1431-29
0.491
MAK-UNK-b1d4dcd7-4
0.487
DRR-IMP-38dce17f-5
0.483
DAV-CRI-d1e0885a-1
0.476
HYO-UNK-49a60884-1
0.475
AAR-POS-d2a4d1df-35
0.475
MED-COV-4280ac29-15
0.475
MAR-LAB-ca4662a6-2
0.475
JOH-UNI-0e1753c1-3
0.475
AAR-POS-0daf6b7e-16
0.474
PAU-UNI-b2b6b158-1
0.470
AAR-POS-d2a4d1df-24
0.467
MAK-UNK-7c9d1431-20
0.467
MED-COV-4280ac29-25
0.464
MAK-UNK-b1d4dcd7-2
0.462
MAK-UNK-b1d4dcd7-5
0.461
JOK-SYG-18591e8f-1
0.460
SAD-SAT-5b1897b2-2
0.459
ASH-SAT-43770c7d-5
0.459
DRR-IMP-38dce17f-2
0.459
DRR-IMP-38dce17f-7
0.458
MAK-UNK-6ca90168-14
0.458
SAD-SAT-bc31ec01-1
0.458
PAU-UNI-8cdd41c7-1
0.456
SAD-SAT-1f400d17-8
0.453
AAR-POS-d2a4d1df-22
0.450
MAR-TRE-6a44bbf2-52
0.450
LON-WEI-8f408cad-3
0.450
JOH-UNI-27ac80fd-38
0.448
MED-COV-4280ac29-31
0.446
AAR-POS-d2a4d1df-40
0.446
MAK-UNK-902cc841-1
0.446
AHN-SAT-de2502ba-15
0.444
MAK-UNK-e4a48a85-21
0.444
SAD-SAT-581007d4-1
0.443
JIA-UNI-93b03cae-1
0.443
NEH-REV-107bcf72-5
0.435
MAR-TRE-6a44bbf2-54
0.431
MAK-UNK-7c9d1431-16
0.431
SAD-SAT-5b1897b2-5
0.431
MAT-POS-ee51dedd-1
0.431
MAK-UNK-7c9d1431-14
0.431
DAV-CRI-0207e898-1
0.429
AAR-POS-d2a4d1df-41
0.424
TAT-ENA-80bfd3e5-20
0.424
MED-COV-4280ac29-8
0.423
DAR-DIA-fb20be43-2
0.420
STE-KUL-2e0d2e88-7
0.420
SAD-SAT-581007d4-2
0.419
MAT-POS-2db6411e-2
0.419
SAD-SAT-581007d4-7
0.419
SEL-UNI-cd366922-6
0.418
MAK-UNK-af83ef51-1
0.418
MAK-UNK-b1d4dcd7-3
0.418
MAK-UNK-b1d4dcd7-7
0.412
MIH-UNI-e573136b-5
0.412
MAK-UNK-e4a48a85-20
0.411
SAD-SAT-1b030f84-9
0.409
MAK-UNK-3f402c2b-26
0.409
STE-UNK-13e151dd-1
0.408
MAK-UNK-7c9d1431-18
0.406
MED-COV-4280ac29-33
0.403
MAK-UNK-c74072e5-1
0.402
MAK-UNK-7c9d1431-21
0.400
MAK-UNK-e4a48a85-2
0.397
SAD-SAT-bc31ec01-7
0.397
AHN-SAT-de2502ba-14
0.397
SAD-SAT-65574d3f-1
0.397
DAV-CRI-d1e0885a-5
0.394
PAU-UNI-19862c28-1
0.394
DAV-CRI-d1e0885a-6
0.394
DAR-DIA-fb20be43-8
0.394
MAK-UNK-176ca439-2
0.392
MIH-UNI-e573136b-4
0.392
MAK-UNK-15efde89-1
0.391
MAK-UNK-c74072e5-2
0.390
TOB-UNK-c2aba166-1
0.389
DAV-CRI-d1e0885a-4
0.389
TAT-ENA-80bfd3e5-30
0.388
SAD-SAT-65574d3f-10
0.388
TAM-UNI-d1c3dd9f-13
0.387
NEH-REV-107bcf72-3
0.386
MAK-UNK-987948f6-15
0.385