Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ccc(S(C)(=O)=O)cc2Cl)c1 |
MW: | 448.04 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.13 |
cLogP: | 4.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-565-164 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
IC50 (µM) - RapidFire: | 19.5479753444984 |
Order Status | |
Ordered: | 2020-08-16 |
Synthesis Location: | enamine |
Shipped: | 2020-09-09 |
Activated haloaromatics
TRY-UNI-2eddb1ff-7
MAT-POS-f42f3716-6
0.628
MAT-POS-f42f3716-4
0.607
MAT-POS-f42f3716-7
0.600
MAT-POS-f42f3716-3
0.593
RAL-THA-6b94ceba-9
0.588
RAL-THA-6b94ceba-13
0.578
RAL-THA-6b94ceba-16
0.565
RAL-THA-6b94ceba-14
0.565
RAL-THA-6b94ceba-11
0.563
RAL-THA-6b94ceba-10
0.551
ENA-ENA-cf881d10-1
0.551
WIL-MOD-03b86a88-5
0.547
RAL-THA-6b94ceba-12
0.547
RAL-THA-6b94ceba-15
0.535
MAT-POS-f42f3716-5
0.526
RAL-THA-6b94ceba-7
0.523
WIL-MOD-03b86a88-6
0.523
NAU-LAT-0543f7f2-7
0.523
MAT-POS-f42f3716-1
0.521
RAL-THA-6b94ceba-6
0.518
MAT-POS-c9973a83-1
0.518
NAU-LAT-0543f7f2-6
0.517
NAU-LAT-0543f7f2-5
0.516
MAT-POS-f42f3716-9
0.500
RAL-THA-6b94ceba-5
0.500
NAU-LAT-0543f7f2-2
0.495
WIL-MOD-03b86a88-3
0.494
RAL-THA-6b94ceba-8
0.489
EDG-MED-0da5ad92-8
0.488
TRY-UNI-2eddb1ff-2
0.488
WIL-MOD-03b86a88-2
0.484
TRY-UNI-714a760b-6
0.482
DAR-DIA-23e5a6a0-30
0.479
MAT-POS-e501d84c-1
0.478
RAL-THA-6b94ceba-3
0.474
RAL-THA-6b94ceba-2
0.469
DAR-DIA-23e5a6a0-29
0.469
MAT-POS-044491d2-4
0.468
GAB-REV-70cc3ca5-20
0.464
MAT-POS-044491d2-7
0.463
WIL-MOD-03b86a88-4
0.463
RAL-THA-6b94ceba-1
0.459
RAL-THA-6b94ceba-4
0.459
MAT-POS-044491d2-6
0.459
MAT-POS-044491d2-1
0.458
NAU-LAT-0543f7f2-1
0.458
MAT-POS-044491d2-3
0.458
DAR-DIA-23e5a6a0-24
0.455
CHO-MSK-6e55470f-5
0.455
WIL-MOD-03b86a88-1
0.454
TRY-UNI-2eddb1ff-7
0.454
DAR-DIA-23e5a6a0-26
0.450
EDJ-MED-e58735b6-3
0.449
MAT-POS-044491d2-2
0.449
TRY-UNI-714a760b-5
0.444
DAR-DIA-23e5a6a0-25
0.444
DAR-DIA-23e5a6a0-23
0.444
ALP-POS-f13221e1-4
0.443
DAR-DIA-23e5a6a0-21
0.441
DAR-DIA-23e5a6a0-22
0.441
CHO-MSK-6e55470f-6
0.439
CHO-MSK-6e55470f-10
0.438
CHO-MSK-6e55470f-9
0.438
DAR-DIA-23e5a6a0-27
0.436
BAR-COM-0f94fc3d-28
0.432
CHO-MSK-6e55470f-20
0.430
CHO-MSK-6e55470f-19
0.430
NAU-LAT-0543f7f2-8
0.429
MIH-UNI-6b9ca91a-1
0.429
MAT-POS-f42f3716-8
0.427
JAN-GHE-83b26c96-11
0.427
CHO-MSK-6e55470f-22
0.426
JAN-GHE-83b26c96-12
0.425
CHO-MSK-6e55470f-8
0.425
DAR-DIA-0cde14eb-62
0.424
MAT-POS-044491d2-5
0.423
CHO-MSK-6e55470f-13
0.419
DAR-DIA-23e5a6a0-28
0.419
EDJ-MED-e58735b6-1
0.416
JAN-GHE-83b26c96-13
0.414
ALP-POS-95b75b4d-2
0.414
EDJ-MED-e58735b6-2
0.414
DAR-DIA-0cde14eb-64
0.413
ANN-UNI-98d2bf15-2
0.411
TRY-UNI-2eddb1ff-1
0.411
PET-SGC-83d43576-1
0.411
ALP-POS-95b75b4d-1
0.409
CHO-MSK-6e55470f-21
0.409
DAR-DIA-0cde14eb-2
0.409
CHO-MSK-6e55470f-3
0.407
CHO-MSK-6e55470f-14
0.407
EDJ-MED-c9f55a56-1
0.407
TRY-UNI-714a760b-20
0.407
JOH-UNI-abfda500-6
0.402
ANN-UNI-98d2bf15-1
0.402
DAR-DIA-0cde14eb-78
0.402
CHO-MSK-6e55470f-23
0.402
GAB-REV-70cc3ca5-18
0.400
CHO-MSK-6e55470f-1
0.400
MAT-POS-173a45da-2
0.400