Molecular Properties | |
SMILES: | O=C(Nc1cncc2c1CCCC2)[C@@H]1CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 391.08 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 88.16 |
cLogP: | 2.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.205138508118445 |
Order Status | |
Shipped: | 2021-12-08 |
Activated haloaromatics
MIK-UNK-78dbf1b8-1
1.000
ALP-POS-4483ae88-4
1.000
EDJ-MED-f9b78f78-5
0.607
EDJ-MED-f9b78f78-3
0.568
ALP-POS-a577c8a2-1
0.564
EDJ-MED-e18764cb-2
0.564
BEN-DND-d6f8d3c6-1
0.564
MAT-POS-af1eef35-3
0.564
EDJ-MED-f9b78f78-6
0.546
EDJ-MED-f9b78f78-1
0.541
EDJ-MED-f9b78f78-2
0.524
EDJ-MED-d9f3798e-2
0.519
ALP-POS-e6e0c683-3
0.510
ALP-POS-5fe48310-1
0.495
MIK-ENA-5d9157e9-5
0.495
MIK-ENA-5d9157e9-6
0.495
ALP-POS-4483ae88-3
0.468
ALP-UNI-8d415491-2
0.460
EDJ-MED-a364e151-1
0.452
EDJ-MED-c7fc9efa-1
0.441
ALF-EVA-a24cc7ce-3
0.440
JUL-TUD-06b2044f-49
0.433
ALP-POS-df536be7-2
0.404
ALP-POS-e6e0c683-1
0.398
BEN-DND-c852c98b-10
0.393
BEN-DND-a7517465-8
0.393
BEN-DND-c852c98b-8
0.390
BEN-DND-a7517465-10
0.390
BEN-DND-d1eb1f41-5
0.389
DAR-DIA-06c53477-6
0.383
DAR-DIA-06c53477-5
0.383
DAR-DIA-06c53477-4
0.383
MAT-POS-199e2e7c-1
0.381
DAR-DIA-0cde14eb-41
0.381
DAR-DIA-0cde14eb-32
0.379
NAU-LAT-b7d8c353-2
0.376
ALP-POS-93b3621f-2
0.375
BEN-DND-c852c98b-9
0.375
BEN-DND-a7517465-9
0.375
BEN-DND-f06bfa8e-5
0.371
EDJ-MED-b7309adf-2
0.371
BEN-DND-f06bfa8e-9
0.369
BEN-DND-11faade0-1
0.369
DAR-DIA-0cde14eb-33
0.369
DAR-DIA-0cde14eb-36
0.369
EDJ-MED-c7fc9efa-2
0.367
BEN-DND-f06bfa8e-8
0.366
BEN-DND-d1eb1f41-1
0.364
ALP-POS-bb8a3193-1
0.356
DAR-DIA-0cde14eb-31
0.356
DAR-DIA-0cde14eb-35
0.356
DAR-DIA-0cde14eb-34
0.352
PET-UNK-b78139fa-6
0.352
ERI-UCB-b3e6b0c2-11
0.351
ALP-POS-e6e0c683-2
0.351
BEN-DND-d1eb1f41-2
0.351
PET-UNK-b78139fa-5
0.349
BEN-DND-0ac71396-2
0.348
DAR-DIA-0cde14eb-40
0.346
ALP-POS-6f6ae286-7
0.345
EDG-MED-f9979214-2
0.345
BEN-DND-0ac71396-1
0.345
DAR-DIA-0cde14eb-37
0.343
DAR-DIA-0cde14eb-38
0.343
DAR-DIA-0cde14eb-42
0.343
DAR-DIA-0cde14eb-44
0.343
DAR-DIA-0cde14eb-45
0.343
PET-UNK-2c6614b6-7
0.342
EDJ-MED-93390d0c-2
0.342
PET-UNK-b1ef24dc-23
0.339
PET-UNK-b78139fa-7
0.339
EDJ-MED-b7309adf-1
0.339
PET-UNK-7279c968-5
0.339
ALP-POS-6f6ae286-1
0.339
MAT-POS-86c60949-1
0.339
PET-UNK-2c6614b6-5
0.339
PET-UNK-b78139fa-9
0.336
PET-UNK-022eab87-1
0.336
MAR-UCB-6ab2ec87-1
0.336
DAR-DIA-0cde14eb-39
0.336
PET-UNK-b38839dc-15
0.336
PET-UNK-b38839dc-17
0.336
BEN-DND-f06bfa8e-10
0.336
PET-UNK-7bb24635-5
0.336
PET-UNK-b38839dc-12
0.333
PET-UNK-7279c968-4
0.333
PET-UNK-b78139fa-3
0.333
EDG-MED-f9979214-1
0.333
BEN-DND-f06bfa8e-7
0.333
DAR-DIA-0cde14eb-43
0.333
EDJ-MED-94fddcec-3
0.333
ALP-POS-bb8a3193-2
0.333
PET-UNK-b78139fa-2
0.333
PET-UNK-2c6614b6-6
0.333
PET-UNK-b1ef24dc-15
0.333
PET-UNK-7279c968-9
0.330
ERI-UCB-b3e6b0c2-2
0.330
PET-UNK-b1ef24dc-24
0.330
PET-UNK-b1ef24dc-22
0.330
LUO-POS-868e8996-13
0.330