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: | 3.2845112447793 |
IC50 (µM) - RapidFire: | 2.62321369026417 |
Trypsin IC50 (µM): | 99.0 |
pIC50 (µM) - Fluorescence | 5.48352924695279 |
Average Inhibition @ 20 µM - Fluorescence: | 98.65946 |
Average Inhibition @ 50 µM - Fluorescence: | 103.96275 |
Average Inhibition @ 20 µM - RapidFire: | 98.6225 |
Average Inhibition @ 50 µM - RapidFire: | 99.205 |
Relative Solubility @ 20 µM: | 0.96 |
Relative Solubility @ 100 µM: | 0.88 |
Order Status | |
Shipped: | 2020-04-17 |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
JAN-GHE-bf40f168-13
JAN-GHE-bf40f168-10
JAN-GHE-bf40f168-9
JAN-GHE-bf40f168-7
JAN-GHE-bf40f168-6
JAN-GHE-bf40f168-3
JAN-GHE-bf40f168-4
JAN-GHE-bf40f168-12
JAN-GHE-bf40f168-8
JAN-GHE-bf40f168-5
JAN-GHE-bf40f168-2
JAN-GHE-bf40f168-1
JAN-GHE-bf40f168-11
MIC-IOC-304754b1-2
MIC-IOC-304754b1-1
JOE-SYG-2c9a1216-2
JOE-SYG-2c9a1216-1
JOE-SYG-2c9a1216-3
MAR-TRE-6a44bbf2-4
1.000
LON-WEI-8f408cad-2
1.000
BEN-DND-76ad4ac9-12
0.796
JAG-SYN-9c2cd0bd-13
0.691
MAK-UNK-6435e6c2-6
0.667
JAG-SYN-9c2cd0bd-1
0.618
MAK-UNK-10dfa458-27
0.607
JAG-SYN-9c2cd0bd-2
0.607
BEN-DND-76ad4ac9-2
0.607
MAR-TRE-6a44bbf2-8
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
MAR-TRE-6a44bbf2-18
0.569
LON-WEI-8f408cad-4
0.569
AAR-POS-d2a4d1df-22
0.534
MAR-TRE-6a44bbf2-52
0.534
JAG-SYN-9c2cd0bd-15
0.534
LON-WEI-8f408cad-3
0.534
MAR-TRE-6a44bbf2-58
0.534
KAY-MCD-d0fe5261-1
0.534
MAR-TRE-6a44bbf2-21
0.526
MAK-UNK-7c9d1431-9
0.526
MAK-UNK-7c9d1431-10
0.525
ABB-MCD-f8003a30-1
0.525
MAR-TRE-6a44bbf2-32
0.525
AAR-POS-d2a4d1df-44
0.517
NAU-LAT-64f4b287-1
0.515
AAR-POS-0daf6b7e-15
0.508
IND-SYN-6c8299e8-2
0.508
BEN-DND-76ad4ac9-11
0.508
MAK-UNK-7c9d1431-11
0.500
MAK-UNK-7c9d1431-12
0.500
SWA-SYN-d2e6fa14-4
0.500
TAT-ENA-80bfd3e5-43
0.500
MAR-TRE-6a44bbf2-65
0.500
SWA-SYN-6423ea73-4
0.500
NIM-UNI-05f93fcc-1
0.500
NIM-UNI-05f93fcc-2
0.493
MAR-TRE-6a44bbf2-24
0.492
BEN-DND-76ad4ac9-14
0.485
MAK-UNK-7c9d1431-4
0.485
TAT-ENA-80bfd3e5-25
0.485
MAK-UNK-7c9d1431-6
0.484
AAR-POS-d2a4d1df-27
0.483
MAT-POS-ee51dedd-2
0.483
SAD-SAT-3a925b8b-2
0.483
MAR-LAB-efb042c5-5
0.483
MAR-TRE-6a44bbf2-68
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
SAD-SAT-bc31ec01-5
0.467
NIM-UNI-310206f0-69
0.464
NIM-UNI-05f93fcc-14
0.464
MAK-UNK-7c9d1431-8
0.460
MAR-TRE-6a44bbf2-26
0.460
MAK-UNK-7c9d1431-17
0.460
MAK-UNK-c74072e5-8
0.460
SAD-SAT-3a925b8b-9
0.459
MAK-UNK-d4768348-1
0.459
MAK-UNK-d4768348-4
0.459
NIM-UNI-05f93fcc-10
0.458
JOE-SYG-2c9a1216-3
0.458
MAK-UNK-3f402c2b-9
0.455
AAR-POS-d2a4d1df-37
0.455
MAR-TRE-6a44bbf2-7
0.455
MAK-UNK-d4768348-5
0.452
MAK-UNK-d4768348-2
0.452
SAD-SAT-3a925b8b-3
0.452
MAK-UNK-d4768348-8
0.452
NIM-UNI-310206f0-67
0.451
NIM-UNI-05f93fcc-5
0.451
BEN-DND-76ad4ac9-13
0.448
MAK-UNK-902cc841-9
0.447
AAR-POS-d2a4d1df-36
0.446
WAR-XCH-79d12f6e-6
0.446
MAR-TRE-6a44bbf2-13
0.446
AAR-POS-0daf6b7e-3
0.446
MAK-UNK-d4768348-3
0.444
MAK-UNK-d4768348-7
0.444
BEN-DND-76ad4ac9-10
0.443
MAK-UNK-7c9d1431-3
0.441
MAK-UNK-7c9d1431-22
0.439
NIM-UNI-05f93fcc-15
0.438
NIM-UNI-05f93fcc-6
0.438
NIM-UNI-05f93fcc-13
0.437
MAK-UNK-902cc841-10
0.436
MAK-UNK-7c9d1431-30
0.435
MAR-TRE-6a44bbf2-45
0.435
SAD-SAT-5b1897b2-10
0.433
MAK-UNK-7c9d1431-19
0.433
SAD-SAT-9a6c5cf3-10
0.432
SAD-SAT-3a925b8b-7
0.431
AHN-SAT-de2502ba-15
0.431