Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NC2CC(F)(F)C2)c2cccnc2)cc1 |
MW: | 468.2 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.33 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.34702891021265 |
Order Status | |
Shipped: | synthesis in progress |
ALP-POS-88a7a97e-12
0.810
ALP-POS-88a7a97e-45
0.800
ALP-POS-88a7a97e-34
0.791
ALP-POS-88a7a97e-28
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ALP-POS-88a7a97e-9
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ALP-POS-88a7a97e-30
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ALP-POS-88a7a97e-7
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ALP-POS-88a7a97e-15
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ALP-POS-88a7a97e-6
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ALP-POS-88a7a97e-43
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ALP-POS-88a7a97e-1
0.718
ALP-POS-88a7a97e-14
0.709
ALP-POS-88a7a97e-18
0.701
ALP-POS-88a7a97e-35
0.693
ALP-POS-88a7a97e-2
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ALP-POS-88a7a97e-25
0.676
ALP-POS-88a7a97e-31
0.674
ALP-POS-88a7a97e-10
0.670
ALP-POS-88a7a97e-22
0.670
ALP-POS-88a7a97e-33
0.670
ALP-POS-88a7a97e-29
0.667
ALP-POS-88a7a97e-16
0.663
ALP-POS-88a7a97e-26
0.660
ALP-POS-88a7a97e-5
0.660
ALP-POS-88a7a97e-24
0.651
ALP-POS-88a7a97e-37
0.651
ALP-POS-88a7a97e-40
0.651
ALP-POS-88a7a97e-23
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ALP-POS-88a7a97e-38
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ALP-POS-88a7a97e-46
0.649
ALP-POS-88a7a97e-4
0.649
ALP-POS-88a7a97e-3
0.649
ALP-POS-88a7a97e-32
0.649
ALP-POS-88a7a97e-27
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ALP-POS-88a7a97e-36
0.636
ALP-POS-88a7a97e-8
0.635
ALP-POS-88a7a97e-11
0.633
ALP-POS-88a7a97e-17
0.629
ALP-POS-88a7a97e-19
0.629
ALP-POS-42f3de95-2
0.626
ALP-POS-88a7a97e-13
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ALP-POS-42f3de95-1
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ALP-POS-88a7a97e-48
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ALP-POS-88a7a97e-47
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ALP-POS-02c6a514-50
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ALP-POS-88a7a97e-41
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ALP-POS-88a7a97e-42
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ALP-POS-88a7a97e-21
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ALP-POS-88a7a97e-44
0.587
ALP-POS-88a7a97e-49
0.570
BRU-THA-40a53a3c-1
0.570
ALP-POS-88a7a97e-20
0.559
ALP-POS-42f3de95-3
0.550
ALP-UNI-fe744232-18
0.542
ALP-POS-95f71980-36
0.527
LON-WEI-adc59df6-14
0.505
ALP-POS-ced8ea4d-27
0.500
LON-WEI-adc59df6-44
0.500
ALP-UNI-fe744232-9
0.500
ALP-UNI-fe744232-10
0.500
ALP-UNI-fe744232-17
0.500
ALP-POS-ced8ea4d-62
0.496
ALP-UNI-fe744232-20
0.495
ALP-UNI-fe744232-16
0.495
ALP-UNI-fe744232-24
0.495
LON-WEI-adc59df6-35
0.495
ALP-UNI-fe744232-13
0.492
ALP-UNI-fe744232-11
0.491
ALP-UNI-fe744232-15
0.491
ALP-UNI-fe744232-22
0.491
ALP-POS-ced8ea4d-5
0.491
ALP-UNI-fe744232-5
0.491
ALP-POS-ced8ea4d-9
0.491
ALP-POS-d0876c20-5
0.491
ALP-POS-ced8ea4d-17
0.487
ALP-POS-ced8ea4d-16
0.487
ALP-POS-ced8ea4d-12
0.487
ALP-UNI-fe744232-7
0.486
ALP-UNI-fe744232-6
0.486
ALP-UNI-fe744232-27
0.486
ALP-POS-ced8ea4d-19
0.486
LON-WEI-adc59df6-8
0.485
ALP-UNI-fe744232-12
0.482
ALP-UNI-fe744232-21
0.482
ALP-UNI-fe744232-28
0.482
ALP-POS-ced8ea4d-67
0.482
ALP-UNI-fe744232-3
0.482
ALP-UNI-fe744232-4
0.482
ALP-UNI-fe744232-8
0.482
ALP-UNI-fe744232-29
0.482
ALP-POS-d0876c20-17
0.481
ALP-POS-ced8ea4d-28
0.481
ALP-POS-84f19ead-2
0.481
ALP-POS-95f71980-27
0.479
ALP-POS-ced8ea4d-52
0.478
ALP-POS-ced8ea4d-11
0.478
ALP-UNI-fe744232-14
0.478
LON-WEI-adc59df6-39
0.476
ALP-UNI-fe744232-19
0.475
ALP-POS-95f71980-3
0.474