Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 |
MW: | 338.763 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.0365 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-22862 |
Enamine REAL: | Z212045114 |
Mcule: | MCULE-1689360562 |
MolPort: | MolPort-002-470-581 |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.28771731838383 |
IC50 (µM) - RapidFire: | 2.62321369026417 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-17 |
Activated haloaromatics
Hetero_hetero
MAR-TRE-6a44bbf2-4
1.000
AAR-POS-d2a4d1df-32
1.000
BEN-DND-03406596-2
0.796
BEN-DND-76ad4ac9-12
0.796
JAG-SYN-9c2cd0bd-13
0.691
MAK-UNK-6435e6c2-6
0.667
DRR-IMP-dff87f5e-4
0.642
JAG-SYN-9c2cd0bd-1
0.618
BEN-DND-76ad4ac9-2
0.607
MAK-UNK-10dfa458-27
0.607
JAG-SYN-9c2cd0bd-2
0.607
MAR-TRE-6a44bbf2-8
0.586
DRR-IMP-dff87f5e-5
0.586
AAR-POS-d2a4d1df-34
0.586
JAG-SYN-9c2cd0bd-12
0.576
JAG-SYN-9c2cd0bd-11
0.571
AAR-POS-d2a4d1df-23
0.569
BEN-DND-03406596-10
0.569
LON-WEI-8f408cad-4
0.569
MAR-TRE-6a44bbf2-18
0.569
MAR-TRE-6a44bbf2-58
0.534
JAG-SYN-9c2cd0bd-15
0.534
LON-WEI-8f408cad-3
0.534
AAR-POS-d2a4d1df-22
0.534
MAR-TRE-6a44bbf2-52
0.534
KAY-MCD-d0fe5261-1
0.534
DRR-IMP-dff87f5e-1
0.534
DRR-IMP-db50bf6e-5
0.534
MAR-TRE-6a44bbf2-21
0.526
MAK-UNK-7c9d1431-9
0.526
ABB-MCD-f8003a30-1
0.525
MAK-UNK-7c9d1431-10
0.525
MAR-TRE-6a44bbf2-32
0.525
DRR-IMP-dff87f5e-8
0.525
AAR-POS-d2a4d1df-44
0.517
DRR-IMP-dff87f5e-3
0.517
NAU-LAT-64f4b287-1
0.515
AAR-POS-0daf6b7e-15
0.508
KAT-UNK-b2a0d5b1-1
0.508
BEN-DND-76ad4ac9-11
0.508
IND-SYN-6c8299e8-2
0.508
BEN-DND-03406596-9
0.508
PEI-IMP-ca0b2813-3
0.508
MAK-UNK-7c9d1431-11
0.500
MAR-TRE-6a44bbf2-65
0.500
SWA-SYN-6423ea73-4
0.500
NIM-UNI-05f93fcc-1
0.500
SWA-SYN-d2e6fa14-4
0.500
TAT-ENA-80bfd3e5-43
0.500
MAK-UNK-7c9d1431-12
0.500
JAY-UNK-11f5bdbd-1
0.500
NIM-UNI-05f93fcc-2
0.493
MAR-TRE-6a44bbf2-24
0.492
BEN-DND-76ad4ac9-14
0.485
BEN-DND-03406596-3
0.485
TAT-ENA-80bfd3e5-25
0.485
MAK-UNK-7c9d1431-4
0.485
PEI-IMP-ca0b2813-1
0.484
MAK-UNK-7c9d1431-6
0.484
DRR-IMP-dff87f5e-6
0.484
AAR-POS-d2a4d1df-27
0.483
MAR-TRE-6a44bbf2-68
0.483
MAR-LAB-efb042c5-5
0.483
MAT-POS-ee51dedd-2
0.483
SAD-SAT-3a925b8b-2
0.483
PEI-IMP-ca0b2813-2
0.483
DRR-IMP-dff87f5e-7
0.483
NIM-UNI-05f93fcc-3
0.478
NIM-UNI-05f93fcc-11
0.478
MAR-TRE-6a44bbf2-78
0.475
SAD-SAT-3a925b8b-6
0.475
MAK-UNK-7c9d1431-13
0.475
SAD-SAT-bc31ec01-10
0.473
JOE-SYG-2c9a1216-1
0.472
DRR-IMP-db50bf6e-4
0.470
SAD-SAT-bc31ec01-5
0.467
NIM-UNI-05f93fcc-14
0.464
NIM-UNI-310206f0-69
0.464
MAK-UNK-7c9d1431-17
0.460
MAK-UNK-c74072e5-8
0.460
MAK-UNK-7c9d1431-8
0.460
MAR-TRE-6a44bbf2-26
0.460
DRR-IMP-dff87f5e-9
0.460
SAD-SAT-3a925b8b-9
0.459
MAK-UNK-d4768348-4
0.459
MAK-UNK-d4768348-1
0.459
NIM-UNI-05f93fcc-10
0.458
JOE-SYG-2c9a1216-3
0.458
MAR-TRE-6a44bbf2-7
0.455
BEN-DND-03406596-8
0.455
AAR-POS-d2a4d1df-37
0.455
MAK-UNK-3f402c2b-9
0.455
MAK-UNK-d4768348-8
0.452
MAK-UNK-d4768348-2
0.452
MAK-UNK-d4768348-5
0.452
SAD-SAT-3a925b8b-3
0.452
NIM-UNI-05f93fcc-5
0.451
NIM-UNI-310206f0-67
0.451
BEN-DND-03406596-5
0.448
BEN-DND-76ad4ac9-13
0.448