Molecular Properties | |
SMILES: | COC(=O)[C@@H]1CC[C@H](NC(=O)C(c2cccnc2)N(C(=O)c2cocn2)c2ccc(C(C)(C)C)cc2)C1 |
MW: | 504.24 |
Fraction sp3: | 0.39 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 114.63 |
cLogP: | 4.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.38450388673993 |
Order Status | |
Shipped: | synthesis in progress |
Ester
ALP-POS-88a7a97e-15
0.798
ALP-POS-88a7a97e-12
0.778
ALP-POS-88a7a97e-45
0.750
ALP-POS-88a7a97e-28
0.734
ALP-POS-88a7a97e-39
0.729
ALP-POS-88a7a97e-34
0.723
ALP-POS-88a7a97e-9
0.704
ALP-POS-88a7a97e-43
0.703
ALP-POS-88a7a97e-30
0.697
ALP-POS-88a7a97e-37
0.694
ALP-POS-88a7a97e-23
0.694
ALP-POS-88a7a97e-40
0.694
ALP-POS-88a7a97e-24
0.694
LON-WEI-adc59df6-6
0.677
ALP-POS-88a7a97e-25
0.673
ALP-POS-88a7a97e-1
0.656
ALP-POS-88a7a97e-31
0.653
ALP-POS-88a7a97e-7
0.653
ALP-POS-88a7a97e-33
0.649
ALP-POS-88a7a97e-14
0.649
ALP-POS-88a7a97e-18
0.642
ALP-POS-88a7a97e-35
0.635
ALP-POS-88a7a97e-29
0.630
ALP-POS-88a7a97e-3
0.630
ALP-POS-88a7a97e-26
0.625
ALP-POS-88a7a97e-5
0.624
ALP-POS-88a7a97e-2
0.616
ALP-POS-88a7a97e-22
0.616
ALP-POS-88a7a97e-10
0.616
ALP-POS-88a7a97e-32
0.614
ALP-POS-88a7a97e-4
0.614
ALP-POS-88a7a97e-38
0.614
ALP-POS-88a7a97e-16
0.610
ALP-POS-88a7a97e-41
0.610
ALP-POS-88a7a97e-27
0.604
ALP-POS-88a7a97e-36
0.604
ALP-POS-88a7a97e-11
0.600
ALP-POS-88a7a97e-46
0.598
ALP-POS-88a7a97e-19
0.596
ALP-POS-88a7a97e-17
0.596
ALP-POS-88a7a97e-13
0.590
ALP-POS-88a7a97e-21
0.589
ALP-POS-88a7a97e-8
0.587
ALP-POS-88a7a97e-48
0.585
ALP-POS-02c6a514-50
0.583
ALP-POS-42f3de95-1
0.574
ALP-POS-88a7a97e-44
0.573
ALP-POS-88a7a97e-47
0.569
ALP-POS-42f3de95-2
0.565
ALP-POS-88a7a97e-42
0.560
ALP-POS-88a7a97e-49
0.544
BRU-THA-40a53a3c-1
0.542
LON-WEI-adc59df6-1
0.519
ALP-UNI-fe744232-18
0.518
ALP-POS-42f3de95-3
0.513
ALP-POS-88a7a97e-20
0.508
ALP-POS-95f71980-36
0.504
ALP-UNI-fe744232-13
0.496
ALP-POS-ced8ea4d-19
0.491
LON-WEI-adc59df6-44
0.490
ALP-POS-ced8ea4d-52
0.483
LON-WEI-adc59df6-14
0.481
ALP-POS-ced8ea4d-17
0.480
ALP-UNI-fe744232-17
0.479
ALP-UNI-fe744232-9
0.479
ALP-POS-ced8ea4d-27
0.478
ALP-UNI-fe744232-10
0.478
ALP-POS-ced8ea4d-62
0.475
ALP-POS-ced8ea4d-67
0.475
ALP-UNI-fe744232-24
0.474
ALP-POS-ced8ea4d-32
0.472
ALP-POS-95f71980-34
0.472
LON-WEI-adc59df6-35
0.472
ALP-UNI-fe744232-15
0.471
ALP-UNI-fe744232-30
0.471
ALP-POS-ced8ea4d-9
0.470
ALP-POS-d0876c20-5
0.470
ALP-POS-ced8ea4d-16
0.467
ALP-POS-ced8ea4d-51
0.467
ALP-POS-ced8ea4d-12
0.467
ALP-UNI-fe744232-6
0.466
LON-WEI-adc59df6-8
0.463
ALP-UNI-fe744232-21
0.463
ALP-UNI-fe744232-3
0.462
ALP-UNI-fe744232-16
0.462
ALP-POS-d0876c20-17
0.461
ALP-POS-ced8ea4d-28
0.461
ALP-UNI-fe744232-11
0.460
ALP-UNI-fe744232-22
0.459
ALP-POS-ced8ea4d-11
0.458
ALP-UNI-fe744232-14
0.458
ALP-POS-ced8ea4d-5
0.458
ALP-UNI-fe744232-5
0.458
ALP-UNI-fe744232-19
0.456
ALP-POS-95f71980-3
0.455
LON-WEI-adc59df6-39
0.455
ALP-UNI-fe744232-7
0.454
ALP-UNI-fe744232-27
0.454
ALP-POS-95f71980-10
0.452
ALP-POS-95f71980-37
0.451