Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 386.05 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.287629153253306 |
Order Status | |
Ordered: | 2021-01-14 |
Synthesis Location: | enamine |
Shipped: | 2021-03-17 |
Activated haloaromatics
MAT-POS-66a736cf-1
1.000
LUO-POS-868e8996-14
1.000
LUO-POS-868e8996-13
1.000
EDJ-MED-b7309adf-2
0.759
BEN-DND-f06bfa8e-5
0.759
PET-UNK-2c6614b6-6
0.744
PET-UNK-2c6614b6-9
0.741
EDJ-MED-b7309adf-1
0.726
PET-UNK-2c6614b6-5
0.726
MAT-POS-86c60949-1
0.726
PET-UNK-022eab87-1
0.725
PET-UNK-2c6614b6-8
0.723
PET-UNK-2c6614b6-7
0.714
MIC-UNK-8758c41d-1
0.707
EDG-MED-f9979214-2
0.690
BEN-DND-0ac71396-1
0.690
ALP-POS-6f6ae286-7
0.690
EDJ-MED-93390d0c-1
0.682
EDJ-MED-93390d0c-2
0.682
PET-UNK-7bb24635-4
0.682
EDG-MED-f9979214-1
0.678
BEN-DND-0ac71396-2
0.667
PET-UNK-b38839dc-16
0.659
PET-UNK-2c6614b6-3
0.656
PET-UNK-2c6614b6-2
0.656
PET-UNK-7bb24635-6
0.656
EDJ-MED-d9f3798e-3
0.652
PET-UNK-b1ef24dc-16
0.651
PET-UNK-b38839dc-15
0.651
PET-UNK-7bb24635-5
0.648
PET-UNK-b38839dc-17
0.648
EDJ-MED-94fddcec-1
0.645
PET-UNK-b1ef24dc-15
0.644
EDJ-MED-94fddcec-3
0.644
PET-UNK-7f7e354d-3
0.644
PET-UNK-09a29654-1
0.638
ALP-POS-a577c8a2-2
0.636
EDJ-MED-e18764cb-2
0.632
MAT-POS-af1eef35-3
0.632
ALP-POS-a577c8a2-1
0.632
PET-UNK-b1ef24dc-13
0.632
BEN-DND-d6f8d3c6-1
0.632
EDJ-MED-94fddcec-2
0.629
PET-UNK-09a29654-2
0.621
PET-UNK-b1ef24dc-14
0.618
PET-UNK-2c6614b6-4
0.618
MAT-POS-b3e365b9-1
0.609
MAT-POS-b3e365b9-2
0.609
VLA-UCB-1dbca3b4-15
0.609
MAT-POS-78e1d523-1
0.609
MAT-POS-f7918075-1
0.609
PET-UNK-2c6614b6-1
0.604
PET-UNK-09a29654-3
0.602
ROB-UNI-322e8f70-2
0.596
PET-UNK-c0891748-10
0.596
PET-UNK-c0891748-4
0.596
MIC-UNK-91acba05-4
0.591
ALP-POS-477dc5b7-1
0.591
ALF-EVA-5b152d2f-1
0.589
DAR-DIA-0f2f46c9-10
0.589
ALP-POS-477dc5b7-2
0.584
EDJ-MED-92e193ae-2
0.584
MIC-UNK-91acba05-5
0.584
EDJ-MED-92e193ae-1
0.584
MAT-POS-bbbbc21a-2
0.581
EDJ-MED-12c115cc-2
0.581
EDJ-MED-12c115cc-1
0.581
MAT-POS-f7918075-2
0.581
EDG-MED-5d232de5-5
0.578
RAL-THA-8416115c-2
0.578
MIC-UNK-91acba05-6
0.578
EDG-MED-5d232de5-6
0.578
DAR-DIA-0f2f46c9-12
0.578
RAL-THA-8416115c-3
0.576
PET-UNK-5ad1c31a-8
0.573
PET-UNK-5ad1c31a-7
0.573
PET-UNK-5ad1c31a-1
0.573
PET-UNK-5ad1c31a-2
0.573
PET-UNK-064639eb-1
0.570
PET-UNK-064639eb-4
0.570
MAR-UCB-6ab2ec87-1
0.568
BEN-BAS-c2bc0d80-1
0.568
PET-UNK-158bee2a-9
0.568
MIC-UNK-54748b58-1
0.567
DAR-DIA-0f2f46c9-4
0.565
ALP-POS-966f8da6-2
0.565
EDG-MED-5d232de5-4
0.565
RAL-THA-c11c1343-1
0.565
RAL-THA-4aa06b95-1
0.565
EDG-MED-5d232de5-3
0.565
DAR-DIA-0f2f46c9-6
0.565
DAR-DIA-0f2f46c9-5
0.565
BEN-BAS-c2bc0d80-2
0.562
PET-UNK-c0891748-6
0.560
PET-UNK-1b92fa34-1
0.560
EDJ-MED-dd2a8363-2
0.560
PET-UNK-c0891748-12
0.560
DAR-DIA-0f2f46c9-3
0.559
DAR-DIA-0f2f46c9-1
0.559
DAR-DIA-0f2f46c9-2
0.559