Molecular Properties | |
SMILES: | O=C(Nc1cnn2ccccc12)C1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 375.04 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 80.54 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.89054326511118 |
Order Status | |
Ordered: | 2021-06-25 |
Synthesis Location: | enamine |
Shipped: | 2021-07-15 |
Activated haloaromatics
JIN-POS-6dc588a4-9
MIC-UNK-91acba05-3
0.560
MAT-POS-66a736cf-1
0.560
LUO-POS-868e8996-13
0.560
LUO-POS-868e8996-14
0.560
PET-UNK-b1ef24dc-13
0.548
EDJ-MED-dd2a8363-1
0.543
PET-UNK-2c6614b6-4
0.537
BEN-DND-f06bfa8e-5
0.533
EDJ-MED-b7309adf-2
0.533
PET-UNK-7f7e354d-3
0.526
EDJ-MED-94fddcec-3
0.526
PET-UNK-2c6614b6-1
0.526
PET-UNK-2c6614b6-9
0.521
PET-UNK-158bee2a-12
0.517
PET-UNK-158bee2a-11
0.517
PET-UNK-b1ef24dc-16
0.516
PET-UNK-b38839dc-15
0.516
EDJ-MED-94fddcec-2
0.515
PET-UNK-158bee2a-10
0.511
PET-UNK-2c6614b6-6
0.510
PET-UNK-2c6614b6-8
0.510
PET-UNK-b1ef24dc-15
0.510
PET-UNK-158bee2a-9
0.505
PET-UNK-b1ef24dc-14
0.505
PET-UNK-2c6614b6-7
0.505
MAT-POS-86c60949-1
0.500
EDJ-MED-b7309adf-1
0.500
PET-UNK-2c6614b6-5
0.500
PET-UNK-7bb24635-4
0.500
PET-UNK-7bb24635-6
0.495
ALP-POS-6f6ae286-7
0.490
BEN-DND-0ac71396-1
0.490
EDG-MED-f9979214-2
0.490
EDJ-MED-93390d0c-1
0.485
EDJ-MED-93390d0c-2
0.485
PET-UNK-2c6614b6-2
0.480
PET-UNK-2c6614b6-3
0.480
BEN-DND-0ac71396-2
0.476
PET-UNK-b38839dc-17
0.476
PET-UNK-7bb24635-5
0.476
EDG-MED-f9979214-1
0.471
PET-UNK-b38839dc-16
0.471
EDJ-MED-d9f3798e-3
0.467
EDJ-MED-94fddcec-1
0.462
JUL-TUD-06b2044f-13
0.460
PET-UNK-09a29654-2
0.458
PET-UNK-09a29654-1
0.458
JIN-POS-6dc588a4-9
0.449
PET-UNK-09a29654-3
0.445
PET-UNK-064639eb-4
0.423
PET-UNK-064639eb-1
0.423
BEN-DND-02317c5c-10
0.418
PET-UNK-022eab87-1
0.386
EDJ-MED-51d3200d-3
0.379
PET-UNK-b1ef24dc-21
0.379
MIC-UNK-8758c41d-1
0.379
ALP-POS-a577c8a2-2
0.364
PET-UNK-b78139fa-4
0.362
PET-UNK-b78139fa-1
0.355
JUL-TUD-06b2044f-2
0.353
PET-UNK-b1ef24dc-24
0.352
PET-UNK-b78139fa-7
0.349
PET-UNK-b78139fa-8
0.349
PET-UNK-b1ef24dc-23
0.349
PET-UNK-b78139fa-9
0.346
NAU-LAT-8502cac5-8
0.343
EDJ-MED-dd2a8363-5
0.342
PET-UNK-b1ef24dc-22
0.340
PET-UNK-b78139fa-6
0.336
BEN-DND-f06bfa8e-4
0.336
EDJ-MED-e18764cb-2
0.333
ALP-POS-a577c8a2-1
0.333
MAT-POS-af1eef35-3
0.333
PET-UNK-b78139fa-5
0.333
EDJ-MED-51d3200d-4
0.333
BEN-DND-d6f8d3c6-1
0.333
PET-UNK-5ad1c31a-1
0.330
PET-UNK-5ad1c31a-7
0.330
PET-UNK-b78139fa-2
0.330
PET-UNK-b78139fa-3
0.330
DAR-DIA-0f2f46c9-10
0.330
RAL-THA-4aa06b95-1
0.327
EDJ-MED-51d3200d-2
0.327
MAT-POS-51833a24-1
0.327
BEN-DND-02317c5c-3
0.327
RAL-THA-8416115c-3
0.324
RAL-THA-8416115c-2
0.321
MIC-UNK-91acba05-6
0.321
EDG-MED-5d232de5-6
0.321
EDG-MED-5d232de5-5
0.321
ROB-UNI-322e8f70-2
0.321
DAR-DIA-0f2f46c9-12
0.321
PET-UNK-5ad1c31a-2
0.319
PET-UNK-5ad1c31a-8
0.319
MIC-UNK-54748b58-1
0.316
DAR-DIA-0f2f46c9-8
0.316
DAR-DIA-0f2f46c9-7
0.316
DAR-DIA-0f2f46c9-9
0.316
EDG-MED-5d232de5-4
0.315
DAR-DIA-0f2f46c9-5
0.315