Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 |
MW: | 433.24 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.44 |
cLogP: | 5.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.14421479946325 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-04-16 |
Synthesis Location: | sai |
Shipped: | 2020-06-30 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
ALP-POS-02c6a514-54
0.747
ALP-POS-02c6a514-53
0.747
ALP-POS-02c6a514-57
0.728
ALP-POS-02c6a514-56
0.720
MAT-POS-f2460aef-2
0.670
LON-WEI-2e27a2e5-1
0.670
MAT-POS-f2460aef-1
0.670
ALP-POS-88a7a97e-18
0.659
ALP-POS-02c6a514-55
0.656
LON-WEI-8f408cad-8
0.641
ALP-POS-0c0a3b93-1
0.621
PET-UNK-48ab5cd7-6
0.556
ERI-UCB-fbdd3ea1-4
0.541
RAL-MED-9a5eb9cb-12
0.541
ALP-POS-88a7a97e-1
0.540
ALF-EVA-46063d6e-5
0.537
RYA-UNI-c3f66fb2-1
0.532
LON-WEI-adc59df6-30
0.529
ALF-EVA-719172df-6
0.526
LON-WEI-adc59df6-82
0.523
ALP-POS-02c6a514-38
0.521
ALP-POS-b0bc6a46-23
0.521
ALP-POS-305f6ec3-49
0.520
LON-WEI-adc59df6-3
0.518
LON-WEI-adc59df6-91
0.517
ALP-POS-88a7a97e-14
0.517
ALP-POS-95f71980-21
0.515
LON-WEI-adc59df6-40
0.511
ALP-POS-b0bc6a46-22
0.510
ALP-POS-02c6a514-37
0.510
LON-WEI-b8d98729-10
0.506
LON-WEI-adc59df6-31
0.506
ALP-POS-88a7a97e-7
0.505
ALP-POS-88a7a97e-35
0.505
LON-WEI-adc59df6-28
0.505
ALP-POS-88a7a97e-2
0.505
ALP-POS-88a7a97e-4
0.505
ROB-UNI-269bf23d-1
0.505
ALP-POS-02c6a514-39
0.505
ALP-POS-b0bc6a46-24
0.505
ALP-POS-02c6a514-12
0.505
LON-WEI-adc59df6-21
0.500
ALP-POS-88a7a97e-16
0.500
MAT-POS-f2460aef-4
0.495
ALF-EVA-46063d6e-7
0.495
LON-WEI-adc59df6-17
0.495
LON-WEI-adc59df6-80
0.494
PET-UNK-48ab5cd7-5
0.490
ALP-POS-95f71980-6
0.490
ALP-POS-95f71980-4
0.490
ALP-POS-88a7a97e-28
0.490
ALP-POS-88a7a97e-33
0.489
ALP-POS-88a7a97e-22
0.489
ALP-POS-88a7a97e-10
0.489
ALP-POS-88a7a97e-12
0.489
LON-WEI-adc59df6-29
0.489
LON-WEI-adc59df6-73
0.489
LON-WEI-b8d98729-6
0.489
LON-WEI-b8d98729-7
0.489
ALF-EVA-46063d6e-4
0.485
LON-WEI-2e27a2e5-2
0.485
ALP-POS-88a7a97e-45
0.484
RYA-UNI-f4a878f6-1
0.484
ERI-UCB-fbdd3ea1-16
0.484
LON-WEI-adc59df6-44
0.483
ALP-POS-84f19ead-3
0.483
ALP-POS-95f71980-2
0.480
ALP-POS-88a7a97e-8
0.480
ALP-POS-02c6a514-11
0.480
MAT-POS-02ae579f-1
0.479
ALP-POS-88a7a97e-34
0.479
ALP-POS-88a7a97e-31
0.479
LON-WEI-adc59df6-36
0.479
LON-WEI-adc59df6-35
0.478
LON-WEI-adc59df6-26
0.478
LON-WEI-d1c9908a-1
0.478
LON-WEI-adc59df6-81
0.477
ALP-POS-95f71980-18
0.476
ALP-POS-b0bc6a46-5
0.476
ALP-POS-02c6a514-5
0.476
ALP-POS-305f6ec3-19
0.476
ALP-POS-95f71980-23
0.476
ALP-POS-305f6ec3-59
0.475
ALP-POS-88a7a97e-32
0.474
ALP-POS-88a7a97e-3
0.474
ALP-POS-88a7a97e-46
0.474
ALP-POS-88a7a97e-29
0.474
ALP-POS-88a7a97e-38
0.474
LON-WEI-adc59df6-14
0.473
ALP-POS-305f6ec3-4
0.472
ALF-EVA-46063d6e-3
0.471
ALP-POS-02c6a514-22
0.471
PET-UNK-48ab5cd7-3
0.471
ALP-POS-305f6ec3-41
0.471
ALP-POS-305f6ec3-44
0.471
ALP-POS-02c6a514-26
0.470
LON-WEI-adc59df6-7
0.469
ALP-POS-88a7a97e-5
0.469
LON-WEI-adc59df6-20
0.469
DAR-DIA-9e4459de-26
0.469