Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)N2CCOCC2)c2cccnc2)cc1 |
MW: | 447.22 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 75.88 |
cLogP: | 4.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 40.9555384442711 |
Order Status | |
Shipped: | synthesis in progress |
ALP-POS-84f19ead-2
0.693
ALP-POS-02c6a514-55
0.660
ALP-POS-c59291d4-6
0.621
ALP-POS-02c6a514-54
0.611
ALP-POS-02c6a514-53
0.593
ALP-POS-02c6a514-57
0.581
ALP-POS-02c6a514-56
0.574
MAT-POS-f2460aef-2
0.540
LON-WEI-2e27a2e5-1
0.540
MAT-POS-f2460aef-1
0.540
ALP-POS-84f19ead-1
0.531
ALP-POS-84f19ead-4
0.526
ALP-POS-88a7a97e-47
0.505
LON-WEI-adc59df6-25
0.485
ALP-POS-88a7a97e-1
0.484
ALP-POS-42f3de95-3
0.477
ALP-POS-88a7a97e-34
0.475
ALP-POS-88a7a97e-2
0.470
ALP-POS-88a7a97e-9
0.467
ALP-POS-88a7a97e-14
0.464
ALP-POS-84f19ead-3
0.463
ALP-POS-305f6ec3-26
0.463
ALP-POS-88a7a97e-30
0.462
ALP-POS-88a7a97e-18
0.459
ALP-POS-88a7a97e-26
0.458
ALF-EVA-46063d6e-5
0.457
ALP-POS-88a7a97e-4
0.456
ALP-POS-88a7a97e-28
0.456
ALP-POS-88a7a97e-12
0.455
ALP-POS-88a7a97e-22
0.455
ALP-POS-88a7a97e-7
0.455
ALP-POS-88a7a97e-35
0.455
ALP-POS-88a7a97e-45
0.451
ALP-POS-88a7a97e-16
0.451
PET-UNK-48ab5cd7-6
0.450
ALP-POS-95f71980-19
0.446
ALP-POS-88a7a97e-39
0.443
ALP-POS-88a7a97e-10
0.441
ALP-POS-88a7a97e-33
0.441
ALF-EVA-46063d6e-4
0.440
ALF-EVA-46063d6e-7
0.435
ALP-POS-88a7a97e-11
0.435
ALP-POS-88a7a97e-8
0.434
ALP-POS-88a7a97e-31
0.433
ALP-POS-88a7a97e-43
0.432
ALP-POS-305f6ec3-49
0.431
ALP-POS-88a7a97e-15
0.431
ALP-POS-305f6ec3-11
0.431
ROB-UNI-269bf23d-1
0.430
ALP-POS-02c6a514-38
0.430
ALP-POS-b0bc6a46-23
0.430
ALP-POS-88a7a97e-3
0.429
ALP-POS-88a7a97e-29
0.429
ALP-POS-88a7a97e-38
0.429
ALP-POS-88a7a97e-44
0.429
ALP-POS-88a7a97e-46
0.429
ALP-POS-88a7a97e-32
0.429
ALP-POS-88a7a97e-27
0.427
ALP-POS-88a7a97e-36
0.427
LON-WEI-adc59df6-39
0.427
LON-WEI-adc59df6-30
0.427
ALP-POS-88a7a97e-6
0.425
ALP-POS-88a7a97e-5
0.425
RYA-UNI-c3f66fb2-1
0.425
LON-WEI-adc59df6-31
0.424
ALP-POS-02c6a514-50
0.423
ALP-POS-88a7a97e-48
0.422
LON-WEI-adc59df6-19
0.421
ALF-EVA-719172df-6
0.421
ALP-POS-305f6ec3-58
0.419
ALP-POS-88a7a97e-25
0.419
ALP-POS-02c6a514-12
0.418
ALP-POS-95f71980-4
0.418
LON-WEI-adc59df6-40
0.417
ALP-POS-88a7a97e-49
0.417
ALP-POS-88a7a97e-17
0.417
ALP-POS-88a7a97e-19
0.417
ALP-POS-305f6ec3-22
0.416
ALF-EVA-46063d6e-3
0.416
LON-WEI-adc59df6-17
0.416
LON-WEI-adc59df6-3
0.415
ALP-POS-42f3de95-1
0.414
DAR-DIA-9e4459de-26
0.413
ALP-POS-88a7a97e-13
0.413
ALP-POS-95f71980-21
0.413
LON-WEI-adc59df6-28
0.412
PAU-WEI-df8f33bc-2
0.411
ALP-POS-02c6a514-44
0.411
LON-WEI-adc59df6-29
0.410
ALP-POS-02c6a514-37
0.409
ALP-POS-b0bc6a46-22
0.409
BRU-THA-40a53a3c-1
0.407
DAR-DIA-9e4459de-27
0.407
PET-UNK-48ab5cd7-5
0.407
LON-WEI-8f408cad-8
0.406
ALP-POS-88a7a97e-41
0.405
ALP-POS-b0bc6a46-24
0.405
ALP-POS-42f3de95-2
0.405
ALP-POS-02c6a514-39
0.405
LON-WEI-adc59df6-44
0.404