Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(C)OC)cc1)C(C(=O)Nc1cccc(CC)c1)c1cccnc1 |
MW: | 443.547 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 71.53 |
cLogP: | 5.2504 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4604777899 |
Activity Data | |
IC50 (µM) - Fluorescence: | 66.4026303604043 |
IC50 (µM) - RapidFire: | 99.0 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-d1c9908a-6
0.734
LON-WEI-b8d98729-22
0.688
LON-WEI-b8d98729-16
0.667
LON-WEI-b8d98729-45
0.653
LON-WEI-b8d98729-38
0.629
LON-WEI-b8d98729-8
0.620
LON-WEI-b8d98729-10
0.620
LON-WEI-b8d98729-19
0.619
LON-WEI-b8d98729-15
0.592
LON-WEI-adc59df6-12
0.580
LON-WEI-adc59df6-24
0.578
JAN-GHE-d851b096-4
0.571
LON-WEI-adc59df6-46
0.560
LON-WEI-adc59df6-5
0.554
LON-WEI-adc59df6-38
0.550
LON-WEI-adc59df6-15
0.549
BRU-LEF-973da26b-1
0.520
RIT-AID-af4ac3d4-1
0.515
JAN-GHE-d851b096-9
0.510
LON-WEI-d1c9908a-7
0.510
LON-WEI-b8d98729-47
0.505
LON-WEI-b8d98729-33
0.505
LON-WEI-d1c9908a-5
0.505
LON-WEI-adc59df6-11
0.505
RAL-MED-9a5eb9cb-9
0.500
LON-WEI-adc59df6-43
0.500
LON-WEI-b8d98729-12
0.500
LON-WEI-b8d98729-27
0.500
LON-WEI-d1c9908a-2
0.495
LON-WEI-b8d98729-35
0.495
LON-WEI-b8d98729-24
0.495
LON-WEI-adc59df6-37
0.491
NIM-NMI-8bb27a2b-25
0.491
LON-WEI-adc59df6-13
0.487
LON-WEI-adc59df6-4
0.486
LON-WEI-d1c9908a-11
0.486
LON-WEI-adc59df6-41
0.485
NIM-NMI-8bb27a2b-26
0.477
LON-WEI-d1c9908a-10
0.477
LON-WEI-adc59df6-28
0.476
LON-WEI-d1c9908a-8
0.473
LON-WEI-b8d98729-2
0.472
NIM-NMI-8bb27a2b-22
0.471
LON-WEI-adc59df6-3
0.469
ERI-UCB-fbdd3ea1-2
0.468
LON-WEI-b8d98729-29
0.468
LON-WEI-b8d98729-39
0.468
LON-WEI-d1c9908a-3
0.468
ERI-UCB-fbdd3ea1-1
0.468
LON-WEI-adc59df6-36
0.467
LON-WEI-adc59df6-40
0.467
LON-WEI-adc59df6-30
0.465
LON-WEI-adc59df6-80
0.465
LON-WEI-d1c9908a-4
0.464
LON-WEI-b8d98729-36
0.464
LON-WEI-b8d98729-40
0.464
LON-WEI-adc59df6-31
0.461
LON-WEI-b8d98729-28
0.459
LON-WEI-b8d98729-37
0.459
RAL-MED-9a5eb9cb-10
0.459
DAR-DIA-2b784ede-53
0.459
LON-WEI-adc59df6-7
0.459
LON-WEI-d1c9908a-9
0.459
LON-WEI-adc59df6-18
0.458
LON-WEI-d1c9908a-13
0.455
LON-WEI-b8d98729-26
0.455
LON-WEI-b8d98729-18
0.455
LON-WEI-adc59df6-21
0.455
LON-WEI-8f408cad-10
0.455
LON-WEI-adc59df6-26
0.452
LON-WEI-adc59df6-42
0.452
NIM-NMI-8bb27a2b-19
0.452
LON-WEI-b8d98729-11
0.450
LON-WEI-adc59df6-9
0.450
LON-WEI-d1c9908a-12
0.450
NIM-NMI-8bb27a2b-20
0.449
LON-WEI-adc59df6-45
0.446
LON-WEI-adc59df6-16
0.445
LON-WEI-8f408cad-8
0.444
LON-WEI-adc59df6-27
0.443
LON-WEI-adc59df6-91
0.442
PAU-WEI-5b8d5051-1
0.441
LON-WEI-adc59df6-47
0.441
LON-POS-586a7c45-1
0.441
LON-WEI-adc59df6-44
0.441
LON-WEI-adc59df6-2
0.440
LON-WEI-adc59df6-17
0.438
LON-WEI-adc59df6-95
0.438
NIM-NMI-8bb27a2b-24
0.438
LON-WEI-babf2c61-9
0.438
LON-WEI-d1c9908a-1
0.437
LON-WEI-b8d98729-14
0.436
LON-WEI-adc59df6-33
0.436
NIM-NMI-8bb27a2b-18
0.435
NIM-NMI-8bb27a2b-16
0.434
LON-WEI-b8d98729-42
0.434
NIM-NMI-8bb27a2b-27
0.434
LON-WEI-adc59df6-14
0.433
LON-WEI-adc59df6-29
0.433
LON-WEI-adc59df6-73
0.433