Molecular Properties | |
SMILES: | CCOC(=O)c1ncoc1CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 531.21 |
Fraction sp3: | 0.29 |
HBA: | 9 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 140.66 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.87854334094103 |
Order Status | |
Shipped: | synthesis in progress |
Ester
ALP-POS-88a7a97e-32
0.684
ALP-POS-88a7a97e-14
0.670
ALP-POS-88a7a97e-4
0.667
ALP-POS-88a7a97e-3
0.667
ALP-POS-88a7a97e-48
0.667
ALP-POS-88a7a97e-17
0.663
ALP-POS-88a7a97e-35
0.656
ALP-POS-88a7a97e-8
0.653
ALP-POS-88a7a97e-10
0.653
ALP-POS-88a7a97e-33
0.653
ALP-POS-88a7a97e-29
0.650
ALP-POS-88a7a97e-46
0.650
ALP-POS-88a7a97e-16
0.646
ALP-POS-88a7a97e-1
0.642
ALP-POS-88a7a97e-13
0.641
ALP-POS-88a7a97e-31
0.640
ALP-POS-88a7a97e-22
0.636
ALP-POS-88a7a97e-38
0.634
ALP-POS-88a7a97e-18
0.629
ALP-POS-88a7a97e-7
0.622
ALP-POS-88a7a97e-2
0.620
ALP-POS-88a7a97e-19
0.615
ALP-POS-88a7a97e-5
0.612
ALP-POS-88a7a97e-12
0.604
ALP-POS-88a7a97e-45
0.598
ALP-POS-88a7a97e-42
0.593
ALP-POS-88a7a97e-34
0.592
ALP-POS-88a7a97e-44
0.591
ALP-POS-88a7a97e-11
0.589
ALP-POS-88a7a97e-28
0.587
ALP-POS-88a7a97e-26
0.583
ALP-POS-42f3de95-2
0.583
ALP-POS-88a7a97e-41
0.583
ALP-POS-88a7a97e-27
0.578
ALP-POS-88a7a97e-21
0.578
ALP-POS-42f3de95-1
0.578
ALP-POS-88a7a97e-47
0.573
ALP-POS-02c6a514-50
0.573
ALP-POS-88a7a97e-39
0.570
ALP-POS-88a7a97e-15
0.569
ALP-POS-88a7a97e-43
0.568
ALP-POS-88a7a97e-9
0.565
ALP-POS-88a7a97e-36
0.564
ALP-POS-88a7a97e-30
0.560
ALP-POS-88a7a97e-20
0.551
ALP-POS-88a7a97e-25
0.547
ALP-POS-88a7a97e-6
0.544
ALP-UNI-fe744232-18
0.509
ALP-POS-88a7a97e-37
0.504
ALP-POS-88a7a97e-23
0.504
ALP-POS-88a7a97e-40
0.504
ALP-POS-88a7a97e-24
0.504
ALP-POS-95f71980-36
0.496
ALP-UNI-fe744232-28
0.492
ALP-UNI-fe744232-27
0.483
ALP-UNI-fe744232-10
0.483
ALP-POS-ced8ea4d-27
0.483
ALP-UNI-fe744232-21
0.479
ALP-POS-42f3de95-3
0.479
ALP-UNI-fe744232-4
0.479
ALP-UNI-fe744232-20
0.479
ALP-POS-ced8ea4d-67
0.479
ALP-UNI-fe744232-24
0.479
ALP-UNI-fe744232-16
0.479
ALP-UNI-fe744232-5
0.475
ALP-POS-ced8ea4d-9
0.475
ALP-POS-02c6a514-57
0.473
ALP-POS-ced8ea4d-16
0.472
ALP-UNI-fe744232-9
0.471
ALP-POS-ced8ea4d-51
0.471
ALP-POS-ced8ea4d-19
0.471
ALP-UNI-fe744232-7
0.471
ALP-UNI-fe744232-6
0.471
LON-WEI-adc59df6-7
0.469
ALP-UNI-fe744232-8
0.467
ALP-UNI-fe744232-29
0.467
LON-WEI-adc59df6-2
0.464
ALP-UNI-fe744232-15
0.463
ALP-POS-ced8ea4d-52
0.463
ALP-POS-d0876c20-5
0.462
ALP-UNI-fe744232-19
0.460
ALP-UNI-fe744232-17
0.460
ALP-POS-95f71980-3
0.460
ALP-POS-ced8ea4d-12
0.459
ALP-UNI-fe744232-2
0.457
ALP-POS-ced8ea4d-62
0.455
ALP-UNI-fe744232-3
0.455
ALP-POS-02c6a514-53
0.455
LON-WEI-adc59df6-27
0.455
ALP-POS-ced8ea4d-28
0.453
ALP-POS-d0876c20-17
0.453
ALP-UNI-fe744232-30
0.452
ALP-UNI-fe744232-26
0.452
ALP-UNI-fe744232-14
0.451
ALP-POS-ced8ea4d-49
0.451
ALP-POS-ced8ea4d-5
0.451
ALP-POS-ced8ea4d-11
0.451
ALP-POS-ced8ea4d-39
0.451
LON-WEI-adc59df6-10
0.450
LON-WEI-adc59df6-30
0.448