Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C2(C)CC2)cc1)C(C(=O)Nc1cccc(CC)c1)c1cccnc1 |
MW: | 439.559 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 5.5945 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4444602566 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.03 |
Order Status | |
Shipped: | 2020-04-27 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-17
0.734
LON-WEI-d1c9908a-2
0.696
LON-WEI-d1c9908a-11
0.685
LON-WEI-b8d98729-16
0.673
LON-WEI-d1c9908a-5
0.670
LON-WEI-d1c9908a-8
0.660
LON-WEI-b8d98729-38
0.635
LON-WEI-d1c9908a-1
0.633
LON-WEI-d1c9908a-13
0.620
LON-WEI-d1c9908a-4
0.614
LON-WEI-b8d98729-15
0.598
JAN-GHE-d851b096-4
0.577
LON-WEI-adc59df6-46
0.566
LON-WEI-adc59df6-5
0.560
LON-WEI-adc59df6-15
0.554
LON-WEI-adc59df6-12
0.554
LON-WEI-adc59df6-24
0.553
LON-WEI-adc59df6-38
0.541
LON-WEI-adc59df6-11
0.523
LON-WEI-adc59df6-43
0.519
JAN-GHE-d851b096-9
0.515
LON-WEI-b8d98729-33
0.510
RAL-MED-9a5eb9cb-9
0.505
LON-WEI-adc59df6-4
0.505
LON-WEI-b8d98729-24
0.500
LON-WEI-b8d98729-35
0.500
BRU-LEF-973da26b-1
0.495
LON-WEI-b8d98729-12
0.490
RIT-AID-af4ac3d4-1
0.490
LON-WEI-adc59df6-41
0.490
LON-WEI-b8d98729-29
0.486
LON-WEI-b8d98729-22
0.486
LON-WEI-d1c9908a-7
0.485
PET-UNK-48ab5cd7-5
0.482
NIM-NMI-8bb27a2b-26
0.481
LON-WEI-d1c9908a-10
0.481
LON-WEI-b8d98729-47
0.481
LON-WEI-adc59df6-13
0.478
LON-WEI-b8d98729-2
0.477
LON-WEI-b8d98729-27
0.476
NIM-NMI-8bb27a2b-22
0.476
LON-WEI-adc59df6-3
0.474
ERI-UCB-fbdd3ea1-2
0.472
LON-WEI-b8d98729-39
0.472
ERI-UCB-fbdd3ea1-1
0.472
LON-WEI-adc59df6-40
0.471
LON-WEI-adc59df6-30
0.469
NIM-NMI-8bb27a2b-25
0.467
LON-WEI-adc59df6-9
0.467
LON-WEI-adc59df6-37
0.467
LON-WEI-adc59df6-28
0.466
LON-WEI-8f408cad-8
0.464
RAL-MED-9a5eb9cb-10
0.464
LON-WEI-b8d98729-45
0.464
LON-WEI-adc59df6-91
0.461
LON-WEI-adc59df6-44
0.460
LON-WEI-adc59df6-36
0.457
LON-WEI-adc59df6-42
0.456
LON-WEI-adc59df6-95
0.456
LON-WEI-b8d98729-36
0.455
LON-WEI-adc59df6-80
0.455
LON-WEI-b8d98729-11
0.454
LON-WEI-d1c9908a-12
0.454
NIM-NMI-8bb27a2b-20
0.453
NIM-NMI-8bb27a2b-16
0.452
LON-WEI-adc59df6-73
0.451
LON-WEI-adc59df6-14
0.451
LON-WEI-adc59df6-31
0.451
LON-WEI-b8d98729-28
0.450
ERI-UCB-fbdd3ea1-4
0.450
LON-WEI-b8d98729-6
0.450
LON-WEI-b8d98729-7
0.450
RAL-MED-9a5eb9cb-12
0.450
DAR-DIA-2b784ede-53
0.450
LON-WEI-d1c9908a-9
0.450
LON-WEI-adc59df6-16
0.450
LON-POS-586a7c45-1
0.445
LON-WEI-b8d98729-18
0.445
LON-WEI-adc59df6-47
0.445
LON-WEI-d1c9908a-3
0.445
PAU-WEI-5b8d5051-1
0.445
LON-WEI-adc59df6-21
0.444
LON-WEI-adc59df6-78
0.443
LON-WEI-adc59df6-35
0.442
LON-WEI-adc59df6-17
0.442
LON-WEI-b8d98729-40
0.441
LON-WEI-babf2c61-9
0.441
NIM-NMI-8bb27a2b-17
0.441
LON-WEI-b8d98729-14
0.440
LON-WEI-adc59df6-33
0.440
LON-WEI-b8d98729-37
0.438
LON-WEI-b8d98729-42
0.438
NIM-NMI-8bb27a2b-27
0.438
LON-WEI-b8d98729-8
0.438
LON-WEI-adc59df6-82
0.437
LON-WEI-b8d98729-10
0.437
LON-WEI-adc59df6-29
0.437
NIM-NMI-8bb27a2b-21
0.436
LON-WEI-adc59df6-18
0.435
LON-WEI-adc59df6-20
0.435