Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 |
MW: | 320.773 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.8974 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-22860 |
Enamine REAL: | Z147647642 |
Mcule: | MCULE-9354217329 |
MolPort: | MolPort-002-470-580 |
Activity Data | |
IC50 (µM) - Fluorescence: | 4.55048873816837 |
IC50 (µM) - RapidFire: | 2.02356071032967 |
Trypsin IC50 (µM): | 99.0 |
pIC50 (µM) - Fluorescence | 5.34194195611417 |
Average Inhibition @ 20 µM - Fluorescence: | 97.289005 |
Average Inhibition @ 50 µM - Fluorescence: | 103.54665 |
Average Inhibition @ 20 µM - RapidFire: | 96.62 |
Average Inhibition @ 50 µM - RapidFire: | 96.84 |
Relative Solubility @ 20 µM: | 1.0 |
Relative Solubility @ 100 µM: | 1.0 |
Order Status | |
Shipped: | 2020-04-17 |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
MAR-TRE-6a44bbf2-18
1.000
AAR-POS-d2a4d1df-23
1.000
BEN-DND-76ad4ac9-14
0.800
DAN-MCD-50ec7d1f-1
0.769
IND-SYN-6c8299e8-2
0.707
MAK-UNK-6435e6c2-5
0.692
MAK-UNK-7c9d1431-11
0.672
MAR-TRE-6a44bbf2-65
0.672
TAT-ENA-80bfd3e5-43
0.672
MAK-UNK-7c9d1431-4
0.650
TAT-ENA-80bfd3e5-25
0.650
MAR-TRE-6a44bbf2-32
0.649
MAK-UNK-7c9d1431-10
0.649
ABB-MCD-f8003a30-1
0.649
MAK-UNK-10dfa458-5
0.643
DAN-MCD-5c762fbe-1
0.643
BEN-DND-76ad4ac9-6
0.643
KAY-MCD-d0fe5261-1
0.636
MAR-TRE-6a44bbf2-58
0.636
MAK-UNK-10dfa458-29
0.632
MAK-UNK-7c9d1431-9
0.630
MAR-TRE-6a44bbf2-21
0.630
IND-SYN-6c8299e8-7
0.625
MAR-TRE-6a44bbf2-26
0.603
MAK-UNK-7c9d1431-8
0.603
MAK-UNK-7c9d1431-3
0.571
AAR-POS-d2a4d1df-32
0.569
LON-WEI-8f408cad-2
0.569
MAR-TRE-6a44bbf2-4
0.569
MAK-UNK-7c9d1431-19
0.565
MAC-MCD-4707377b-1
0.562
AAR-POS-d2a4d1df-44
0.561
SAD-SAT-bc31ec01-5
0.561
MAR-TRE-6a44bbf2-68
0.552
MAR-LAB-efb042c5-5
0.552
SAD-SAT-3a925b8b-2
0.552
MAT-POS-ee51dedd-2
0.552
AAR-POS-d2a4d1df-27
0.552
MAR-TRE-6a44bbf2-78
0.542
MAK-UNK-7c9d1431-13
0.542
MAK-UNK-7c9d1431-7
0.538
MAR-TRE-6a44bbf2-49
0.538
MAK-UNK-7c9d1431-5
0.538
MAR-TRE-6a44bbf2-31
0.538
BEN-DND-76ad4ac9-7
0.532
MAK-UNK-7c9d1431-1
0.530
MAR-TRE-6a44bbf2-38
0.530
MAK-UNK-7c9d1431-6
0.525
MAK-UNK-7c9d1431-17
0.525
MAK-UNK-c74072e5-8
0.525
AAR-POS-d2a4d1df-34
0.525
MAR-TRE-6a44bbf2-8
0.525
SAD-SAT-bc31ec01-4
0.516
KEN-MCD-6084b33e-1
0.516
MAR-TRE-6a44bbf2-36
0.515
MAK-UNK-7c9d1431-2
0.515
MAK-UNK-7c9d1431-22
0.500
MAK-UNK-c74072e5-9
0.500
AAR-POS-d2a4d1df-22
0.500
MAR-TRE-6a44bbf2-52
0.500
LON-WEI-8f408cad-3
0.500
MAK-UNK-7c9d1431-12
0.492
ABB-MCD-f549d731-1
0.488
MAK-UNK-3f402c2b-2
0.485
BEN-DND-76ad4ac9-12
0.485
BEN-DND-76ad4ac9-10
0.478
SAD-SAT-3a925b8b-9
0.475
AAR-POS-0daf6b7e-15
0.475
MAK-UNK-d4768348-4
0.475
MAK-UNK-d4768348-1
0.475
MAK-UNK-902cc841-7
0.474
MAR-TRE-6a44bbf2-45
0.471
MAK-UNK-7c9d1431-30
0.471
MAK-UNK-d4768348-8
0.468
SAD-SAT-3a925b8b-6
0.468
MAK-UNK-d4768348-5
0.468
SAD-SAT-3a925b8b-3
0.468
NIM-UNI-05f93fcc-1
0.468
WAR-XCH-79d12f6e-6
0.462
MAK-UNK-902cc841-8
0.462
MAR-TRE-6a44bbf2-13
0.462
AAR-POS-0daf6b7e-3
0.462
AAR-POS-d2a4d1df-36
0.462
MAK-UNK-d4768348-7
0.460
KAY-MCD-59dc2eb3-1
0.460
BEN-DND-76ad4ac9-11
0.456
GIA-UNK-7337c2f3-5
0.456
MIK-MCD-8542a490-1
0.456
MAR-TRE-6a44bbf2-3
0.449
AAR-POS-d2a4d1df-37
0.448
MAR-TRE-6a44bbf2-7
0.448
ZAC-MCD-2bc172dc-1
0.446
MAR-TRE-6a44bbf2-28
0.444
MAK-UNK-d4768348-2
0.444
MAK-UNK-7c9d1431-23
0.444
ZAC-MCD-b48cf8fd-1
0.444
NIM-UNI-05f93fcc-2
0.443
MED-COV-4280ac29-5
0.442
SAD-SAT-2ceae68f-1
0.440
MAK-UNK-d4768348-3
0.438