Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 387.04 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 88.16 |
cLogP: | 2.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.334432410409252 |
Order Status | |
Ordered: | 2021-08-05 |
Synthesis Location: | moonshot |
Shipped: | 2021-09-12 |
Activated haloaromatics
BEN-DND-d6f8d3c6-1
1.000
MAT-POS-af1eef35-3
1.000
EDJ-MED-e18764cb-2
1.000
EDJ-MED-f9b78f78-5
0.772
BEN-DND-11faade0-1
0.704
EDJ-MED-f9b78f78-1
0.701
EDJ-MED-d9f3798e-2
0.667
EDJ-MED-f9b78f78-2
0.656
MAR-UCB-6ab2ec87-1
0.647
PET-UNK-022eab87-1
0.647
EDJ-MED-f9b78f78-3
0.640
EDJ-MED-f9b78f78-6
0.633
MAT-POS-66a736cf-1
0.632
MIC-UNK-91acba05-3
0.632
LUO-POS-868e8996-13
0.632
LUO-POS-868e8996-14
0.632
MIC-UNK-91acba05-1
0.625
MAT-POS-22e8b45a-1
0.625
ROB-UNI-322e8f70-3
0.625
MAT-POS-865c3497-1
0.625
MAT-POS-865c3497-2
0.625
ALP-POS-a577c8a2-2
0.604
MAT-POS-d8472c4f-5
0.596
BEN-DND-f2e727cd-5
0.596
MAT-POS-3ccb8ef6-1
0.596
MAT-POS-3ccb8ef6-2
0.596
MIC-UNK-54748b58-1
0.571
ROB-UNI-322e8f70-2
0.565
ALP-POS-4483ae88-4
0.564
MIK-UNK-78dbf1b8-1
0.564
MIK-UNK-58cd43d0-1
0.564
ALF-EVA-b701bd13-4
0.562
PET-UNK-5ad1c31a-1
0.561
PET-UNK-5ad1c31a-2
0.561
PET-UNK-5ad1c31a-8
0.561
PET-UNK-5ad1c31a-7
0.561
MAR-UCB-6ab2ec87-6
0.560
DAR-DIA-9f765dc6-1
0.559
DAR-DIA-9f765dc6-3
0.559
DAR-DIA-9f765dc6-4
0.559
BEN-BAS-c2bc0d80-1
0.556
DAR-DIA-9f765dc6-6
0.554
DAR-DIA-9f765dc6-2
0.554
DAR-DIA-9f765dc6-5
0.554
EDJ-MED-12c115cc-2
0.551
EDJ-MED-12c115cc-1
0.551
MAT-POS-f7918075-2
0.551
MAT-POS-bbbbc21a-2
0.551
BEN-BAS-c2bc0d80-2
0.549
PET-UNK-1b92fa34-1
0.548
PET-UNK-c0891748-4
0.548
ALP-POS-1460fd94-2
0.548
PET-UNK-c0891748-10
0.548
MAT-POS-b3e365b9-1
0.543
BEN-DND-f2e727cd-4
0.543
VLA-UCB-1dbca3b4-15
0.543
MAT-POS-f7918075-1
0.543
MAT-POS-b3e365b9-2
0.543
ALP-UNI-c3ef0aba-2
0.543
EDJ-MED-92e193ae-2
0.538
MIC-UNK-45817b9b-1
0.538
EDJ-MED-92e193ae-1
0.538
MAT-POS-43c25e9b-1
0.538
MIC-UNK-91acba05-5
0.538
MAT-POS-43c25e9b-2
0.538
ALP-POS-477dc5b7-2
0.538
EDJ-MED-a6bd50ad-1
0.538
ALP-POS-a577c8a2-3
0.528
ALP-POS-477dc5b7-1
0.527
MIC-UNK-91acba05-4
0.527
MIC-UNK-8758c41d-2
0.527
MAT-POS-78e1d523-1
0.527
ALF-EVA-5b152d2f-1
0.526
BEN-DND-f2e727cd-6
0.526
MAT-POS-dd3ad2b5-1
0.526
DAR-DIA-0f2f46c9-10
0.526
MAR-UCB-6ab2ec87-7
0.521
RAL-THA-4aa06b95-1
0.521
BEN-DND-a02b439d-14
0.516
RAL-THA-8416115c-2
0.516
ADA-UCB-dc2b944c-16
0.516
DAR-DIA-0f2f46c9-12
0.516
EDG-MED-5d232de5-5
0.516
MIC-UNK-91acba05-2
0.516
MIC-UNK-91acba05-6
0.516
EDG-MED-5d232de5-6
0.516
MAT-POS-2e8b2191-2
0.516
MAT-POS-2e8b2191-3
0.516
PET-UNK-c0891748-6
0.516
PET-UNK-c0891748-12
0.516
EDJ-MED-eb111c00-1
0.516
DAR-DIA-0f2f46c9-3
0.515
DAR-DIA-0f2f46c9-1
0.515
DAR-DIA-0f2f46c9-2
0.515
MAT-POS-dd3ad2b5-3
0.515
MIC-UNK-8758c41d-1
0.511
MAT-POS-fb82b63d-1
0.511
RAL-THA-05e671eb-3
0.511
EDJ-MED-e4b030d8-2
0.510
ALP-POS-d3acb8cc-4
0.510