Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NS(N)(=O)=O)c1 |
MW: | 354.06 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 114.18 |
cLogP: | 1.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 11.2565912024338 |
IC50 (µM) - RapidFire: | 14.4718080952543 |
Order Status | |
Ordered: | 2020-08-16 |
Synthesis Location: | enamine |
Shipped: | 2020-09-22 |
Hetero_hetero
WIL-MOD-03b86a88-5
0.809
NAU-LAT-0543f7f2-6
0.736
RAL-THA-6b94ceba-13
0.658
NAU-LAT-0543f7f2-7
0.653
RAL-THA-6b94ceba-15
0.649
MAT-POS-e501d84c-1
0.636
MAT-POS-044491d2-4
0.620
MAT-POS-044491d2-7
0.613
RAL-THA-6b94ceba-6
0.608
MAT-POS-044491d2-1
0.605
MAT-POS-044491d2-3
0.605
MAT-POS-044491d2-6
0.602
NAU-LAT-0543f7f2-5
0.600
RAL-THA-6b94ceba-14
0.597
RAL-THA-6b94ceba-12
0.597
RAL-THA-6b94ceba-16
0.597
MAT-POS-044491d2-2
0.590
MAT-POS-c9973a83-1
0.587
TRY-UNI-2eddb1ff-2
0.577
EDG-MED-0da5ad92-8
0.577
WIL-MOD-03b86a88-3
0.577
RAL-THA-6b94ceba-7
0.571
MAT-POS-f42f3716-6
0.566
RAL-THA-6b94ceba-5
0.564
RAL-THA-6b94ceba-11
0.556
MAT-POS-044491d2-5
0.551
RAL-THA-6b94ceba-8
0.550
TRY-UNI-714a760b-6
0.548
RAL-THA-6b94ceba-9
0.543
WIL-MOD-03b86a88-2
0.543
ENA-ENA-cf881d10-1
0.542
WIL-MOD-03b86a88-4
0.536
NAU-LAT-0543f7f2-2
0.535
NAU-LAT-0543f7f2-1
0.529
GAB-REV-70cc3ca5-20
0.527
RAL-THA-6b94ceba-10
0.524
TRY-UNI-2eddb1ff-7
0.523
WIL-MOD-03b86a88-1
0.523
DAR-DIA-23e5a6a0-29
0.523
MAT-POS-f42f3716-2
0.523
DAR-DIA-23e5a6a0-30
0.517
DAR-DIA-23e5a6a0-23
0.511
MAT-POS-f42f3716-1
0.511
DAR-DIA-23e5a6a0-25
0.511
MAT-POS-f42f3716-4
0.511
EDJ-MED-e58735b6-3
0.506
DAR-DIA-23e5a6a0-24
0.506
MAT-POS-f42f3716-7
0.506
DAR-DIA-23e5a6a0-26
0.500
ALP-POS-f13221e1-4
0.500
RAL-THA-6b94ceba-1
0.494
RAL-THA-6b94ceba-3
0.494
RAL-THA-6b94ceba-4
0.494
MAT-POS-f42f3716-9
0.489
DAR-DIA-23e5a6a0-21
0.489
DAR-DIA-23e5a6a0-22
0.489
CHO-MSK-6e55470f-5
0.489
RAL-THA-6b94ceba-2
0.489
JAN-GHE-83b26c96-13
0.487
TRY-UNI-714a760b-5
0.486
JAN-GHE-83b26c96-11
0.486
MAT-POS-f42f3716-3
0.484
DAR-DIA-23e5a6a0-27
0.484
MAT-POS-f42f3716-5
0.484
DAR-DIA-23e5a6a0-28
0.479
CHO-MSK-6e55470f-13
0.479
MAK-UNK-6ca90168-26
0.478
NAU-LAT-0543f7f2-8
0.477
MAT-POS-f42f3716-8
0.473
CHO-MSK-6e55470f-6
0.469
CHO-MSK-6e55470f-10
0.469
CHO-MSK-6e55470f-8
0.469
CHO-MSK-6e55470f-9
0.469
ALP-POS-95b75b4d-2
0.468
EDJ-MED-e58735b6-2
0.468
MIH-UNI-6b9ca91a-1
0.467
BAR-COM-0f94fc3d-28
0.465
CHO-MSK-6e55470f-14
0.464
ANN-UNI-98d2bf15-2
0.463
TRY-UNI-2eddb1ff-1
0.463
ALP-POS-95b75b4d-1
0.462
JAN-GHE-83b26c96-12
0.462
CHO-MSK-6e55470f-19
0.459
TRY-UNI-714a760b-20
0.457
CHO-MSK-6e55470f-22
0.455
MAT-POS-173a45da-2
0.455
EDJ-MED-e58735b6-1
0.450
CHO-MSK-6e55470f-16
0.450
CHO-MSK-6e55470f-3
0.449
ALE-HEI-f28a35b5-3
0.447
DAR-DIA-0cde14eb-61
0.446
CHO-MSK-6e55470f-20
0.444
ALP-POS-95b75b4d-3
0.444
JAN-GHE-83b26c96-14
0.444
DAR-DIA-0cde14eb-76
0.444
EDJ-MED-c9f55a56-1
0.442
DAR-DIA-0cde14eb-2
0.440
DAR-DIA-0cde14eb-62
0.440
VLA-UCB-00f2c2b3-2
0.440
MAT-POS-500ca5bf-1
0.440