Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)c1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C)CS(=O)(=O)C4)Cc4ccc(Cl)cc43)c2c1 |
| MW: | 590.11 |
| Fraction sp3: | 0.35 |
| HBA: | 7 |
| HBD: | 2 |
| Rotatable Bonds: | 6 |
| TPSA: | 142.61 |
| cLogP: | 2.55 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.110367168369788 |
| Order Status | |
| Ordered: | 2021-10-05 |
| Synthesis Location: | enamine |
| Shipped: | 2021-11-10 |
Oxetanes, thietanes
Hetero_hetero
MAT-POS-78ab8081-4
0.789
EDJ-MED-378a25ea-2
0.789
MAT-POS-5c19d660-3
0.782
MAT-POS-78ab8081-5
0.773
MAT-POS-666635d5-2
0.757
MAT-POS-83f73d0a-1
0.757
MAT-POS-bf364d7a-1
0.750
MAT-POS-bf364d7a-2
0.750
EDJ-MED-4fff0a85-3
0.750
MAT-POS-78ab8081-1
0.700
MAT-POS-83f73d0a-2
0.700
EDJ-MED-ede277f6-10
0.684
EDJ-MED-ede277f6-12
0.684
MAT-POS-81ae2990-3
0.670
EDJ-MED-378a25ea-19
0.658
EDJ-MED-ede277f6-11
0.652
EDJ-MED-378a25ea-32
0.642
MAT-POS-5cd9ea36-10
0.637
MAT-POS-dd1fff26-1
0.637
MAT-POS-dd1fff26-2
0.637
EDJ-MED-378a25ea-8
0.633
EDJ-MED-378a25ea-1
0.622
ALF-EVA-07677224-9
0.621
EDJ-MED-378a25ea-10
0.605
MAT-POS-81ae2990-6
0.597
PET-UNK-19e211a9-10
0.595
MAT-POS-78ab8081-6
0.595
MAT-POS-81ae2990-9
0.593
MAT-POS-b4d6b7fc-9
0.593
EDJ-MED-378a25ea-22
0.585
EDJ-MED-378a25ea-12
0.583
MAT-POS-97ec4bd1-2
0.582
PET-UNK-19e211a9-9
0.582
EDJ-MED-378a25ea-26
0.582
MAT-POS-2e8b2191-9
0.582
MAT-POS-e36d57d9-1
0.582
MAT-POS-5c19d660-2
0.582
MAT-POS-5cd9ea36-9
0.581
EDJ-MED-378a25ea-34
0.579
ALP-POS-07e1ed01-2
0.579
PET-UNK-615ad708-5
0.578
PET-UNK-ff046148-1
0.578
PET-UNK-615ad708-2
0.578
MAT-POS-97ec4bd1-1
0.577
PET-UNK-94036022-1
0.576
XIA-UNK-284f966f-1
0.576
PET-UNK-94036022-8
0.576
EDJ-MED-378a25ea-24
0.573
FRA-DIA-6238d354-2
0.571
MAT-POS-4223bc15-6
0.571
MAT-POS-c88128cb-1
0.571
MAT-POS-c88128cb-2
0.569
EDJ-MED-76744c27-5
0.569
EDJ-MED-378a25ea-30
0.567
ALF-EVA-07677224-7
0.567
EDJ-MED-76744c27-4
0.567
MAT-POS-bf364d7a-7
0.567
MAT-POS-bf364d7a-8
0.567
MAT-POS-81ae2990-2
0.567
EDJ-MED-378a25ea-28
0.563
MAT-POS-dc2604c4-1
0.563
MAT-POS-e194df51-1
0.563
MAT-POS-e194df51-2
0.563
JOH-SUS-07b743f6-6
0.563
PET-UNK-03fd2068-3
0.562
EDJ-MED-378a25ea-14
0.562
BRU-THA-d60fe444-1
0.561
MAT-POS-bf364d7a-12
0.560
EDJ-MED-378a25ea-6
0.560
MAT-POS-5cd9ea36-7
0.560
MAT-POS-bf364d7a-11
0.560
EDJ-MED-28cccd0c-3
0.559
XIA-UNK-c8ef6831-1
0.558
ALP-POS-395d3f9b-1
0.558
MAT-POS-81ae2990-1
0.558
MAT-POS-dc2604c4-2
0.557
PET-UNK-af70882d-3
0.556
EDJ-MED-378a25ea-20
0.556
PET-UNK-af70882d-4
0.556
JOH-SUS-07b743f6-3
0.554
EDJ-MED-378a25ea-16
0.550
EDJ-MED-4fff0a85-4
0.550
MAT-POS-bf364d7a-3
0.550
MAT-POS-bf364d7a-4
0.550
MAT-POS-4223bc15-12
0.549
JOH-SUS-07b743f6-1
0.549
EDJ-MED-841e0cf0-7
0.548
EDJ-MED-670ad2ee-10
0.548
EDJ-MED-670ad2ee-9
0.548
MAT-POS-5cd9ea36-24
0.547
EDJ-MED-76744c27-3
0.547
MAT-POS-78ab8081-2
0.546
MAT-POS-dc2604c4-3
0.545
ALP-POS-07e1ed01-1
0.545
MAT-POS-777f5926-3
0.545
MAT-POS-777f5926-4
0.545
MAT-POS-5cd9ea36-8
0.545
JOH-SUS-07b743f6-2
0.545
PET-UNK-c6bcc80b-8
0.543
PET-UNK-c6bcc80b-1
0.543