Molecular Properties | |
SMILES: | C=CC(=O)N(c1cc(C(C)(C)C)on1)C(C(=O)Nc1cccc(CC)c1)c1cccnc1 |
MW: | 432.524 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.33 |
cLogP: | 4.8285 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4439011525 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.01 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
NIM-NMI-8bb27a2b-6
0.685
ERI-UCB-fbdd3ea1-28
0.677
NIM-NMI-8bb27a2b-9
0.673
LON-WEI-b8d98729-46
0.670
NIM-NMI-8bb27a2b-8
0.657
NIM-NMI-8bb27a2b-10
0.656
LON-WEI-b8d98729-23
0.644
NIM-NMI-8bb27a2b-3
0.641
NIM-NMI-8bb27a2b-2
0.632
NIM-NMI-8bb27a2b-4
0.621
NIM-NMI-8bb27a2b-11
0.621
ERI-UCB-fbdd3ea1-7
0.621
ERI-UCB-fbdd3ea1-9
0.621
NIM-NMI-8bb27a2b-7
0.620
NIM-NMI-8bb27a2b-12
0.619
NIM-NMI-8bb27a2b-14
0.618
LON-WEI-b8d98729-43
0.614
LON-WEI-babf2c61-10
0.614
NIM-NMI-8bb27a2b-13
0.610
ERI-UCB-fbdd3ea1-6
0.608
NIM-NMI-8bb27a2b-5
0.602
LON-WEI-b8d98729-16
0.602
LON-WEI-d1c9908a-6
0.598
NIM-NMI-8bb27a2b-1
0.596
ERI-UCB-fbdd3ea1-5
0.596
LON-WEI-b8d98729-17
0.592
ERI-UCB-fbdd3ea1-8
0.578
ERI-UCB-fbdd3ea1-10
0.562
LON-WEI-b8d98729-38
0.555
DAR-DIA-2b784ede-35
0.514
ERI-UCB-fbdd3ea1-26
0.505
DAR-DIA-2b784ede-31
0.505
LON-WEI-adc59df6-46
0.500
JAN-GHE-d851b096-7
0.500
LON-WEI-adc59df6-15
0.491
ERI-UCB-fbdd3ea1-31
0.486
LON-WEI-adc59df6-5
0.481
LON-WEI-adc59df6-24
0.477
LON-WEI-adc59df6-12
0.477
ERI-UCB-fbdd3ea1-33
0.475
ERI-UCB-fbdd3ea1-24
0.474
ERI-UCB-fbdd3ea1-32
0.472
LON-WEI-adc59df6-38
0.470
LON-WEI-babf2c61-13
0.468
ERI-UCB-fbdd3ea1-30
0.467
LON-WEI-babf2c61-12
0.464
LON-WEI-adc59df6-43
0.459
LON-WEI-babf2c61-11
0.456
JAN-GHE-d851b096-4
0.453
JAN-GHE-d851b096-9
0.452
ERI-UCB-fbdd3ea1-34
0.451
DAR-DIA-2b784ede-36
0.448
DAR-DIA-2b784ede-34
0.447
LON-WEI-adc59df6-4
0.446
LON-WEI-babf2c61-14
0.441
ALP-POS-95f71980-16
0.441
DAR-DIA-2b784ede-32
0.434
ERI-UCB-fbdd3ea1-29
0.433
DAR-DIA-2b784ede-33
0.433
BRU-LEF-e1854a6f-1
0.430
ERI-UCB-fbdd3ea1-25
0.427
LON-WEI-adc59df6-11
0.426
LON-WEI-b8d98729-33
0.423
LON-WEI-d1c9908a-10
0.423
LON-WEI-b8d98729-21
0.420
LON-WEI-adc59df6-73
0.419
LON-WEI-adc59df6-41
0.417
LON-WEI-b8d98729-35
0.414
LON-WEI-b8d98729-20
0.414
LON-WEI-adc59df6-40
0.413
LON-WEI-d1c9908a-7
0.413
LON-WEI-adc59df6-13
0.412
DAR-DIA-2b784ede-50
0.410
LON-WEI-adc59df6-3
0.410
LON-WEI-adc59df6-30
0.408
LON-WEI-adc59df6-28
0.407
LON-WEI-adc59df6-16
0.407
RIT-AID-af4ac3d4-1
0.405
ALP-POS-02c6a514-56
0.405
DAR-DIA-2b784ede-52
0.405
ERI-UCB-fbdd3ea1-16
0.404
PAU-WEI-5b8d5051-1
0.404
LON-WEI-adc59df6-47
0.404
LON-POS-586a7c45-1
0.404
ERI-UCB-fbdd3ea1-13
0.402
RAL-MED-9a5eb9cb-9
0.402
ERI-UCB-fbdd3ea1-14
0.400
LON-WEI-adc59df6-36
0.400
LON-WEI-adc59df6-44
0.400
NIM-NMI-8bb27a2b-26
0.400
LON-WEI-b8d98729-11
0.398
LON-WEI-adc59df6-37
0.398
ERI-UCB-fbdd3ea1-27
0.398
LON-WEI-d1c9908a-9
0.395
ERI-UCB-fbdd3ea1-12
0.394
RAL-MED-9a5eb9cb-14
0.394
LON-WEI-adc59df6-81
0.394
LON-WEI-adc59df6-31
0.393
LON-WEI-b8d98729-18
0.391
LON-WEI-b8d98729-39
0.391