Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4cccc(Cl)c34)C2)CS(=O)(=O)C1 |
| MW: | 567.05 |
| Fraction sp3: | 0.33 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 113.51 |
| cLogP: | 3.84 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.957296200748462 |
| Order Status | |
| Ordered: | 2021-09-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-11-10 |
Oxetanes, thietanes
Hetero_hetero
MAT-POS-81ae2990-1
0.866
MAT-POS-81ae2990-4
0.777
MAT-POS-81ae2990-7
0.767
MAT-POS-b4d6b7fc-8
0.767
EDJ-MED-4fff0a85-3
0.694
MAT-POS-bf364d7a-1
0.694
MAT-POS-bf364d7a-2
0.694
MAT-POS-81ae2990-2
0.685
EDJ-MED-ede277f6-10
0.661
EDJ-MED-ede277f6-12
0.661
MAT-POS-78ab8081-5
0.658
MAT-POS-78ab8081-3
0.652
EDJ-MED-ede277f6-3
0.652
MAT-POS-666635d5-2
0.643
MAT-POS-83f73d0a-1
0.643
MAT-POS-81ae2990-5
0.614
MAT-POS-78ab8081-1
0.610
MAT-POS-83f73d0a-2
0.610
MAT-POS-81ae2990-8
0.605
EDJ-MED-0186a59b-4
0.600
ROB-CAM-4c532489-1
0.589
EDJ-MED-d1555997-2
0.585
MAT-POS-dd1fff26-2
0.584
MAT-POS-dd1fff26-1
0.584
MAT-POS-5cd9ea36-10
0.584
EDJ-MED-ede277f6-9
0.579
EDJ-MED-d1555997-1
0.574
EDJ-MED-ede277f6-5
0.574
ALF-EVA-07677224-9
0.569
MAT-POS-13080fc6-1
0.563
MAT-POS-81ae2990-3
0.560
MAT-POS-5cd9ea36-9
0.543
MAT-POS-13080fc6-3
0.537
EDJ-MED-76744c27-4
0.529
MAT-POS-bf364d7a-7
0.529
ALF-EVA-07677224-7
0.529
MAT-POS-bf364d7a-8
0.529
ALP-POS-07e1ed01-2
0.529
PET-UNK-ff046148-1
0.526
PET-UNK-615ad708-5
0.526
PET-UNK-615ad708-2
0.526
PET-UNK-94036022-1
0.525
PET-UNK-94036022-8
0.525
XIA-UNK-284f966f-1
0.525
JOH-SUS-07b743f6-6
0.525
XIA-UNK-c8ef6831-1
0.521
MAT-POS-dc2604c4-2
0.521
MAT-POS-5cd9ea36-8
0.521
MAT-POS-4223bc15-6
0.518
PET-UNK-19e211a9-1
0.517
MAT-POS-bfd29aac-1
0.517
EDJ-MED-7889e8da-4
0.513
EDJ-MED-be9e6f63-4
0.513
MAT-POS-dc2604c4-1
0.513
MAT-POS-e194df51-1
0.513
MAT-POS-e194df51-2
0.513
MAT-POS-bf364d7a-11
0.512
MAT-POS-5cd9ea36-7
0.512
MAT-POS-bf364d7a-12
0.512
EDJ-MED-378a25ea-33
0.512
EDJ-MED-28cccd0c-3
0.508
ALP-POS-395d3f9b-1
0.508
MAT-POS-81ae2990-6
0.508
PET-UNK-e274cad4-8
0.505
PET-UNK-af70882d-4
0.504
EDJ-MED-76744c27-5
0.504
JOH-SUS-07b743f6-3
0.504
MAT-POS-bf364d7a-3
0.500
MAT-POS-bf364d7a-4
0.500
EDJ-MED-378a25ea-2
0.500
MAT-POS-4223bc15-12
0.500
EDJ-MED-be9e6f63-1
0.500
PET-UNK-19e211a9-2
0.500
EDJ-MED-4fff0a85-4
0.500
MAT-POS-bfd29aac-2
0.500
JOH-SUS-07b743f6-1
0.500
MAT-POS-78ab8081-4
0.500
PET-UNK-ff046148-2
0.500
EDJ-MED-378a25ea-34
0.496
PET-UNK-c6bcc80b-1
0.496
PET-UNK-c6bcc80b-8
0.496
MAT-POS-5c19d660-3
0.496
MAT-POS-78ab8081-6
0.496
PET-UNK-19e211a9-10
0.496
EDJ-MED-378a25ea-1
0.496
MAT-POS-777f5926-3
0.496
MAT-POS-777f5926-4
0.496
MAT-POS-dc2604c4-3
0.496
ALP-POS-07e1ed01-1
0.496
JOH-SUS-07b743f6-2
0.496
EDJ-MED-7889e8da-6
0.496
EDJ-MED-378a25ea-9
0.496
EDJ-MED-76744c27-3
0.496
MAT-POS-5cd9ea36-24
0.496
BRU-THA-d60fe444-1
0.496
MAT-POS-22373164-1
0.492
MAT-POS-5cd9ea36-6
0.492
EDJ-MED-378a25ea-23
0.492
EDJ-MED-4f4dd660-2
0.492
MAT-POS-bf364d7a-9
0.492