Molecular Properties | |
SMILES: | O=C1O[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 380.06 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 68.73 |
cLogP: | 4.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 80.8699121413771 |
Order Status | |
Shipped: | 2021-04-14 |
MAT-POS-ec6d90b7-1
1.000
MAT-POS-ec6d90b7-2
1.000
VLA-UCB-29506327-1
0.620
VLA-UCB-34f3ed0c-11
0.620
VLA-UNK-cf7facf1-1
0.620
BEN-BAS-c2bc0d80-7
0.594
VLA-UCB-05e51b3f-5
0.589
VLA-UCB-50c39ae8-2
0.589
MAT-POS-94643566-1
0.589
BEN-BAS-c2bc0d80-6
0.589
VLA-UNK-ba665ac8-2
0.576
VLA-UNK-ba665ac8-1
0.571
VLA-UCB-34f3ed0c-12
0.571
VLA-UCB-50c39ae8-3
0.571
VLA-UCB-05e51b3f-6
0.571
VLA-UNK-83c3754c-1
0.564
VLA-UNK-70dd90ef-4
0.564
MAT-POS-983b399a-1
0.546
EDJ-MED-159244ea-1
0.546
ALP-POS-477dc5b7-4
0.546
VLA-UNK-f702bf1c-7
0.537
MAT-POS-983b399a-3
0.536
EDJ-MED-159244ea-3
0.536
VLA-UNK-83c3754c-2
0.536
BRU-THA-73c97d88-1
0.531
DAR-DIA-0f7b7cd9-9
0.531
DAR-DIA-0f7b7cd9-8
0.525
VLA-UNK-c65c1026-2
0.525
VLA-UCB-34f3ed0c-15
0.523
BEN-BAS-c2bc0d80-3
0.520
VLA-UCB-34f3ed0c-14
0.518
VLA-UNK-f702bf1c-6
0.518
VLA-UNK-c65c1026-5
0.510
VLA-UNK-c65c1026-6
0.510
MAT-POS-e20a5dfb-1
0.510
MAT-POS-e20a5dfb-2
0.510
ALP-POS-e0fe77e5-7
0.510
ALP-POS-477dc5b7-5
0.510
VLA-UNK-f702bf1c-8
0.509
VLA-UNK-f702bf1c-1
0.509
VLA-UNK-f702bf1c-2
0.505
VLA-UCB-34f3ed0c-17
0.500
ADA-UCB-dc2b944c-1
0.500
VLA-UNK-f702bf1c-3
0.500
JAG-UCB-f37eaa14-3
0.495
EDJ-MED-159244ea-2
0.495
MAT-POS-983b399a-2
0.495
VLA-UNK-f702bf1c-4
0.491
VLA-UCB-34f3ed0c-16
0.487
VLA-UCB-34f3ed0c-18
0.487
VLA-UNK-f702bf1c-5
0.479
VLA-UNK-3a43cd95-1
0.476
VLA-UNK-c65c1026-1
0.466
VLA-UNK-56836b69-2
0.465
VLA-UNK-3a43cd95-3
0.457
JOH-MSK-51c67e7d-1
0.456
JOH-MSK-51c67e7d-2
0.456
MAT-POS-2bb0cf2b-1
0.452
MAT-POS-e6dd326d-1
0.452
MAT-POS-45b13633-1
0.452
EDG-MED-971238d3-5
0.452
VLA-UNK-56836b69-3
0.448
MAT-POS-9db1e783-1
0.446
EDG-MED-971238d3-1
0.446
VLA-UNK-3a43cd95-2
0.442
JOH-MSK-1f2dff76-4
0.442
JOH-MSK-1f2dff76-3
0.442
VLA-UNK-70dd90ef-1
0.441
DAR-DIA-ecdbc7dd-13
0.439
VLA-UNK-c65c1026-3
0.438
PET-UNK-407a74a5-5
0.437
VLA-UNK-70dd90ef-2
0.436
VLA-MRT-8c78ee15-1
0.433
VLA-MRT-a639d434-3
0.433
VLA-MRT-8c78ee15-2
0.433
VLA-MRT-8c78ee15-4
0.431
VLA-MRT-a639d434-2
0.431
DAR-DIA-ecdbc7dd-4
0.431
RAL-THA-58fba2bc-1
0.430
EDG-MED-971238d3-10
0.430
MAT-POS-45b13633-4
0.430
EDG-MED-971238d3-6
0.430
PET-UNK-eeb64427-6
0.430
PET-UNK-eeb64427-3
0.430
EDJ-MED-94fddcec-4
0.429
ALP-POS-41e2080f-1
0.429
EDJ-MED-d4864bdc-3
0.429
MAT-POS-9db1e783-2
0.429
EDG-MED-971238d3-2
0.429
MAT-POS-5d65ec79-1
0.427
MAT-POS-f9802937-4
0.427
MAT-POS-f9802937-3
0.427
VLA-UNK-c65c1026-4
0.427
VLA-UNK-70dd90ef-3
0.427
VLA-UNK-3a43cd95-4
0.425
DAR-DIA-ecdbc7dd-3
0.423
MAT-POS-3b97339c-2
0.423
EDG-MED-971238d3-4
0.423
MAT-POS-2905de8c-1
0.423
MAT-POS-2e8b2191-8
0.422