Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C2(C)CC2)cc1)C(C(=O)Nc1ccc(Br)cc1)c1cccnc1 |
MW: | 490.401 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 62.3 |
cLogP: | 5.7946 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4444602583 |
Activity Data | |
IC50 (µM) - Fluorescence: | 82.4234252587981 |
IC50 (µM) - RapidFire: | 19.4305924167973 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-27 |
Filter9_metal
aryl bromide
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-2
0.817
LON-WEI-d1c9908a-5
0.807
LON-WEI-b8d98729-35
0.693
LON-WEI-d1c9908a-1
0.687
LON-WEI-d1c9908a-6
0.685
LON-WEI-d1c9908a-8
0.638
LON-WEI-d1c9908a-13
0.632
LON-WEI-b8d98729-14
0.630
LON-WEI-d1c9908a-4
0.625
LON-WEI-b8d98729-24
0.604
BRU-LEF-973da26b-1
0.600
LON-WEI-b8d98729-47
0.598
LON-WEI-adc59df6-41
0.593
RIT-AID-af4ac3d4-1
0.591
LON-WEI-b8d98729-12
0.591
LON-WEI-b8d98729-9
0.588
LON-WEI-d1c9908a-7
0.587
LON-WEI-b8d98729-27
0.574
LON-WEI-b8d98729-22
0.568
LON-WEI-b8d98729-33
0.562
RAL-MED-9a5eb9cb-9
0.560
JAN-GHE-d851b096-4
0.553
LON-WEI-adc59df6-5
0.552
NIM-NMI-8bb27a2b-25
0.546
LON-WEI-adc59df6-37
0.515
LON-WEI-b8d98729-11
0.515
LON-WEI-adc59df6-11
0.515
LON-WEI-adc59df6-3
0.511
LON-WEI-adc59df6-46
0.510
LON-WEI-adc59df6-4
0.510
LON-WEI-adc59df6-43
0.510
LON-WEI-adc59df6-13
0.509
LON-WEI-adc59df6-95
0.505
LON-WEI-8f408cad-10
0.505
LON-WEI-d1c9908a-12
0.500
LON-WEI-8f408cad-8
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LON-WEI-adc59df6-12
0.500
LON-WEI-b8d98729-6
0.500
LON-WEI-adc59df6-15
0.500
RAL-MED-9a5eb9cb-10
0.500
LON-WEI-adc59df6-44
0.495
LON-WEI-b8d98729-25
0.491
LON-WEI-b8d98729-19
0.490
LON-WEI-b8d98729-41
0.490
LON-WEI-adc59df6-42
0.490
LON-WEI-adc59df6-30
0.489
LON-WEI-adc59df6-80
0.489
LON-WEI-b8d98729-44
0.486
LON-WEI-b8d98729-17
0.486
NIM-NMI-8bb27a2b-26
0.485
LON-WEI-adc59df6-24
0.485
LON-WEI-adc59df6-9
0.485
LON-WEI-adc59df6-14
0.484
ERI-UCB-fbdd3ea1-4
0.484
LON-WEI-b8d98729-7
0.484
RAL-MED-9a5eb9cb-12
0.484
NIM-NMI-8bb27a2b-22
0.480
LON-WEI-adc59df6-21
0.478
RAL-MED-9a5eb9cb-6
0.478
LON-WEI-adc59df6-35
0.474
NIM-NMI-8bb27a2b-17
0.474
LON-WEI-adc59df6-33
0.471
LON-WEI-adc59df6-82
0.469
LON-WEI-b8d98729-10
0.469
LON-WEI-b8d98729-2
0.466
LON-WEI-adc59df6-18
0.465
BRU-LEF-e1854a6f-1
0.465
LON-WEI-adc59df6-8
0.465
BRU-LEF-8bac3ce8-1
0.465
LON-WEI-adc59df6-91
0.464
LON-WEI-b8d98729-29
0.462
LON-WEI-adc59df6-83
0.461
JAN-GHE-d851b096-9
0.459
LON-WEI-b8d98729-40
0.457
LON-WEI-adc59df6-34
0.456
LON-WEI-d1c9908a-10
0.456
RAL-MED-9a5eb9cb-4
0.456
LON-WEI-adc59df6-39
0.455
RAL-MED-9a5eb9cb-15
0.455
NIM-NMI-8bb27a2b-16
0.455
LON-WEI-adc59df6-29
0.454
LON-WEI-adc59df6-31
0.454
LON-WEI-b8d98729-28
0.453
NIM-NMI-8bb27a2b-21
0.452
LON-WEI-adc59df6-16
0.452
LON-WEI-d1c9908a-9
0.452
LON-WEI-d1c9908a-3
0.448
LON-WEI-b8d98729-39
0.448
ERI-UCB-fbdd3ea1-1
0.448
ERI-UCB-fbdd3ea1-2
0.448
NIM-NMI-8bb27a2b-15
0.446
LON-WEI-adc59df6-78
0.446
LON-WEI-adc59df6-79
0.444
LON-WEI-b8d98729-36
0.444
LON-WEI-adc59df6-17
0.444
LON-WEI-adc59df6-26
0.444
NIM-NMI-8bb27a2b-19
0.444
NIM-NMI-8bb27a2b-24
0.444
RAL-MED-9a5eb9cb-14
0.442
LON-WEI-adc59df6-87
0.441