Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(S(N)(=O)=O)c1 |
MW: | 339.04 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 102.15 |
cLogP: | 1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-565-171 |
Activity Data | |
IC50 (µM) - Fluorescence: | 14.6132551725431 |
IC50 (µM) - RapidFire: | 13.0920597103547 |
Order Status | |
Ordered: | 2020-08-16 |
Synthesis Location: | enamine |
Shipped: | 2020-09-22 |
Activated haloaromatics
RAL-THA-6b94ceba-14
0.739
RAL-THA-6b94ceba-15
0.676
NAU-LAT-0543f7f2-6
0.671
WIL-MOD-03b86a88-6
0.658
NAU-LAT-0543f7f2-7
0.658
RAL-THA-6b94ceba-6
0.634
NAU-LAT-0543f7f2-5
0.623
WIL-MOD-03b86a88-5
0.622
RAL-THA-6b94ceba-12
0.622
RAL-THA-6b94ceba-16
0.622
GAB-REV-70cc3ca5-20
0.618
EDJ-MED-e58735b6-3
0.611
MAT-POS-c9973a83-1
0.611
WIL-MOD-03b86a88-3
0.600
RAL-THA-6b94ceba-7
0.595
RAL-THA-6b94ceba-5
0.587
EDG-MED-0da5ad92-8
0.580
TRY-UNI-2eddb1ff-2
0.580
MAT-POS-f42f3716-2
0.578
RAL-THA-6b94ceba-8
0.571
TRY-UNI-714a760b-6
0.571
WIL-MOD-03b86a88-2
0.564
RAL-THA-6b94ceba-9
0.564
RAL-THA-6b94ceba-11
0.557
MAT-POS-e501d84c-1
0.557
NAU-LAT-0543f7f2-2
0.554
RAL-THA-1d44ff04-10
0.550
RAL-THA-6b94ceba-10
0.543
MAT-POS-044491d2-4
0.543
ENA-ENA-cf881d10-1
0.543
MAT-POS-f42f3716-7
0.541
WIL-MOD-03b86a88-4
0.537
MAT-POS-044491d2-7
0.537
MAT-POS-f42f3716-6
0.530
MAT-POS-044491d2-1
0.530
MAT-POS-044491d2-3
0.530
NAU-LAT-0543f7f2-1
0.530
NAU-LAT-0543f7f2-8
0.530
MAT-POS-044491d2-6
0.529
RAL-THA-6b94ceba-1
0.529
RAL-THA-6b94ceba-4
0.529
RAL-THA-6b94ceba-3
0.529
JAN-GHE-83b26c96-11
0.529
DAR-DIA-23e5a6a0-29
0.524
WIL-MOD-03b86a88-1
0.524
TRY-UNI-2eddb1ff-7
0.524
RAL-THA-6b94ceba-2
0.523
CHO-MSK-6e55470f-5
0.523
MAT-POS-044491d2-2
0.518
DAR-DIA-23e5a6a0-30
0.518
DAR-DIA-23e5a6a0-25
0.512
MAT-POS-f42f3716-4
0.512
MAT-POS-f42f3716-1
0.512
DAR-DIA-23e5a6a0-23
0.512
CHO-MSK-6e55470f-16
0.511
TRY-UNI-714a760b-5
0.507
ALP-POS-95b75b4d-2
0.507
DAR-DIA-23e5a6a0-24
0.506
MAT-POS-f42f3716-9
0.506
DAR-DIA-23e5a6a0-21
0.506
CHO-MSK-6e55470f-20
0.505
DAR-DIA-23e5a6a0-27
0.500
MAT-POS-f42f3716-3
0.500
MAT-POS-f42f3716-5
0.500
DAR-DIA-23e5a6a0-26
0.500
JAN-GHE-83b26c96-12
0.500
ALP-POS-f13221e1-4
0.500
CHO-MSK-6e55470f-13
0.495
PET-SGC-83d43576-1
0.494
DAR-DIA-0cde14eb-62
0.494
DAR-DIA-0cde14eb-63
0.494
MAT-POS-f42f3716-8
0.489
DAR-DIA-23e5a6a0-22
0.489
GAB-REV-70cc3ca5-3
0.487
EDJ-MED-e58735b6-2
0.486
JAN-GHE-83b26c96-13
0.486
MIH-UNI-6b9ca91a-1
0.486
CHO-MSK-6e55470f-8
0.484
CHO-MSK-6e55470f-9
0.484
CHO-MSK-6e55470f-10
0.484
MAT-POS-044491d2-5
0.484
BAR-COM-0f94fc3d-28
0.482
DAR-DIA-0cde14eb-64
0.481
DAR-DIA-0cde14eb-61
0.481
PED-UNI-292b67d6-1
0.481
ANN-UNI-98d2bf15-2
0.481
ALP-POS-95b75b4d-1
0.480
CHO-MSK-6e55470f-14
0.479
DAR-DIA-23e5a6a0-28
0.478
MAK-UNK-6ca90168-26
0.477
CHO-MSK-6e55470f-19
0.474
MAT-POS-173a45da-2
0.469
CHO-MSK-6e55470f-6
0.469
CHO-MSK-6e55470f-22
0.469
EDJ-MED-e58735b6-1
0.468
PET-SGC-d0fd10df-1
0.465
CHO-MSK-6e55470f-21
0.464
CHO-MSK-6e55470f-3
0.463
ANN-UNI-98d2bf15-5
0.463
ALP-POS-95b75b4d-3
0.462