Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc2ncsc2c1)C(C(=O)Nc1cccc(CC)c1)c1cccnc1 |
MW: | 442.544 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 75.19 |
cLogP: | 5.1527 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2907074277 |
Activity Data | |
IC50 (µM) - Fluorescence: | 59.1650228852166 |
IC50 (µM) - RapidFire: | 32.0306141190936 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-44
0.710
LON-WEI-b8d98729-9
0.707
LON-WEI-b8d98729-25
0.696
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0.686
LON-WEI-b8d98729-31
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LON-WEI-b8d98729-16
0.654
LON-WEI-d1c9908a-6
0.635
LON-WEI-b8d98729-1
0.633
LON-WEI-b8d98729-17
0.629
LON-WEI-b8d98729-15
0.555
JAN-GHE-d851b096-9
0.505
ALP-POS-e980f4ea-24
0.492
LON-WEI-adc59df6-38
0.492
LON-WEI-adc59df6-5
0.491
JAN-GHE-d851b096-4
0.491
LON-WEI-adc59df6-46
0.482
BRU-THA-92256091-51
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LON-WEI-adc59df6-24
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LON-WEI-adc59df6-12
0.473
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0.473
ALP-POS-ced8ea4d-24
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LON-WEI-b8d98729-35
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LON-WEI-b8d98729-33
0.447
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NIM-NMI-8bb27a2b-22
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ERI-UCB-fbdd3ea1-1
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ERI-UCB-fbdd3ea1-2
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LON-WEI-adc59df6-40
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NIM-NMI-8bb27a2b-25
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LON-WEI-adc59df6-42
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LON-WEI-b8d98729-45
0.397
LON-WEI-b8d98729-32
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JAN-GHE-d851b096-8
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LON-WEI-adc59df6-3
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LON-WEI-adc59df6-28
0.395
LON-WEI-adc59df6-103
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LON-WEI-b8d98729-30
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BRU-LEF-8bac3ce8-1
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RAL-MED-9a5eb9cb-10
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LON-WEI-adc59df6-36
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LON-WEI-adc59df6-44
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LON-WEI-adc59df6-33
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LON-WEI-8f408cad-9
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LON-WEI-adc59df6-35
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LON-WEI-b8d98729-28
0.385
LON-WEI-adc59df6-68
0.385
NIM-NMI-8bb27a2b-20
0.385
LON-WEI-d1c9908a-9
0.383
LON-WEI-adc59df6-16
0.383
NIM-NMI-8bb27a2b-21
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LON-WEI-d1c9908a-13
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LON-WEI-adc59df6-18
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LON-WEI-adc59df6-31
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LON-POS-586a7c45-1
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PAU-WEI-5b8d5051-1
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LON-WEI-d1c9908a-3
0.380
BRU-LEF-e1854a6f-1
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LON-WEI-adc59df6-8
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LON-WEI-adc59df6-84
0.379