Molecular Properties | |
SMILES: | COc1ccc(NC(=O)C(c2cccnc2)N(C(=O)c2cocn2)c2ccc(C(C)(C)C)cc2)cn1 |
MW: | 485.21 |
Fraction sp3: | 0.22 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 110.45 |
cLogP: | 4.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.36624908419565 |
Order Status | |
Shipped: | synthesis in progress |
ALP-POS-88a7a97e-1
0.713
ALP-POS-88a7a97e-14
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ALP-POS-88a7a97e-12
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ALP-POS-88a7a97e-33
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LON-WEI-adc59df6-37
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ALP-POS-88a7a97e-18
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ALP-POS-88a7a97e-45
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ALP-POS-88a7a97e-7
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ALP-POS-88a7a97e-35
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ALP-POS-88a7a97e-31
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ALP-POS-88a7a97e-29
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ALP-POS-88a7a97e-3
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ALP-POS-88a7a97e-28
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ALP-POS-88a7a97e-5
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ALP-POS-88a7a97e-22
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ALP-POS-88a7a97e-2
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ALP-POS-88a7a97e-10
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ALP-POS-88a7a97e-38
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ALP-POS-88a7a97e-32
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ALP-POS-88a7a97e-4
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ALP-POS-88a7a97e-19
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ALP-POS-88a7a97e-16
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ALP-POS-88a7a97e-13
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ALP-POS-88a7a97e-9
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ALP-POS-88a7a97e-34
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ALP-POS-88a7a97e-21
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ALP-POS-88a7a97e-8
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ALP-POS-88a7a97e-46
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ALP-POS-88a7a97e-17
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ALP-POS-88a7a97e-15
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ALP-POS-88a7a97e-26
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ALP-POS-88a7a97e-36
0.618
ALP-POS-88a7a97e-48
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ALP-POS-88a7a97e-39
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ALP-POS-88a7a97e-6
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ALP-POS-88a7a97e-27
0.602
ALP-POS-88a7a97e-11
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ALP-POS-88a7a97e-30
0.598
ALP-POS-42f3de95-2
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ALP-POS-88a7a97e-43
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ALP-POS-88a7a97e-42
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ALP-POS-42f3de95-1
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ALP-POS-88a7a97e-44
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ALP-POS-88a7a97e-49
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ALP-POS-88a7a97e-47
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ALP-POS-02c6a514-50
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ALP-UNI-fe744232-21
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ALP-POS-88a7a97e-20
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ALP-POS-88a7a97e-25
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ALP-POS-88a7a97e-24
0.548
ALP-POS-88a7a97e-37
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ALP-POS-88a7a97e-23
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ALP-POS-88a7a97e-40
0.548
ALP-UNI-fe744232-18
0.514
ALP-POS-95f71980-36
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ALP-POS-ced8ea4d-19
0.500
ALP-POS-02c6a514-56
0.500
ALP-UNI-fe744232-23
0.496
LON-WEI-d1c9908a-7
0.495
ALP-UNI-fe744232-6
0.487
ALP-UNI-fe744232-10
0.486
ALP-POS-42f3de95-3
0.483
ALP-UNI-fe744232-12
0.483
ALP-UNI-fe744232-4
0.482
ALP-UNI-fe744232-16
0.482
ALP-UNI-fe744232-24
0.482
BRU-THA-40a53a3c-1
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ALP-POS-ced8ea4d-52
0.478
ALP-UNI-fe744232-5
0.478
LON-WEI-adc59df6-12
0.477
ALP-UNI-fe744232-7
0.474
ALP-UNI-fe744232-27
0.474
ALP-POS-ced8ea4d-27
0.473
LON-WEI-adc59df6-41
0.471
ALP-UNI-fe744232-28
0.470
ALP-UNI-fe744232-8
0.470
ALP-UNI-fe744232-20
0.470
ALP-UNI-fe744232-29
0.470
ALP-POS-ced8ea4d-67
0.470
ALP-UNI-fe744232-13
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ALP-UNI-fe744232-30
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ALP-POS-ced8ea4d-39
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ALP-POS-ced8ea4d-49
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ALP-POS-ced8ea4d-9
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ALP-UNI-fe744232-1
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ALP-POS-ced8ea4d-16
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ALP-POS-ced8ea4d-51
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ALP-POS-ced8ea4d-12
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ALP-UNI-fe744232-9
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ALP-UNI-fe744232-2
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ALP-POS-95f71980-37
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ALP-UNI-fe744232-3
0.457
ALP-POS-84f19ead-3
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ALP-POS-d0876c20-17
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ALP-POS-ced8ea4d-28
0.455
ALP-UNI-fe744232-11
0.455
ALP-UNI-fe744232-26
0.454
ALP-UNI-fe744232-15
0.454
ALP-POS-ced8ea4d-5
0.453
ALP-UNI-fe744232-14
0.453