Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 353.09 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 71.09 |
| cLogP: | 3.43 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 1.69033830789507 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-09-29 |
MAT-POS-90fd5f68-38
0.778
MAT-POS-90fd5f68-8
0.766
MAT-POS-90fd5f68-1
0.743
MAT-POS-90fd5f68-3
0.727
MAT-POS-90fd5f68-20
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MAT-POS-29385cc1-3
0.671
MAT-POS-c20a539d-6
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MAT-POS-bb423b95-8
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MAT-POS-c20a539d-1
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MAT-POS-90fd5f68-7
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MAT-POS-c20a539d-4
0.667
JIN-POS-6dc588a4-11
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MAT-POS-90fd5f68-6
0.650
MAT-POS-90fd5f68-4
0.646
MAT-POS-c20a539d-5
0.646
PET-UNK-6314f867-2
0.646
MAT-POS-90fd5f68-17
0.642
MAT-POS-90fd5f68-41
0.637
PET-UNK-7fb4f80a-1
0.627
MAT-POS-90fd5f68-10
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MAT-POS-90fd5f68-18
0.627
MAT-POS-c0609ef7-1
0.625
MIC-UNK-fbef42b7-2
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MAT-POS-c20a539d-8
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MAT-POS-90fd5f68-9
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MIC-UNK-9dc9fcd1-5
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MAT-POS-90fd5f68-11
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MAT-POS-90fd5f68-12
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MAT-POS-90fd5f68-5
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MIC-UNK-9dc9fcd1-4
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ADA-UCB-6c2cb422-1
0.605
MIC-UNK-9dc9fcd1-1
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MAT-POS-c20a539d-2
0.600
MAT-POS-bb423b95-1
0.597
MAK-UNK-ffc90da7-5
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MIC-UNK-9dc9fcd1-3
0.591
MAT-POS-90fd5f68-13
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MIC-UNK-9dc9fcd1-2
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MAT-POS-90fd5f68-37
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MAK-UNK-ffc90da7-3
0.578
MAK-UNK-ffc90da7-8
0.578
MAT-POS-90fd5f68-15
0.578
MIC-UNK-fbef42b7-1
0.575
MIC-UNK-4fbd4db9-1
0.560
MIC-UNK-4fbd4db9-5
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PET-UNK-b38839dc-2
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PET-UNK-f4e47ebd-2
0.560
MIC-UNK-4fbd4db9-2
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MIC-UNK-4fbd4db9-6
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MAT-POS-90fd5f68-26
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MAT-POS-90fd5f68-19
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MIC-UNK-4fbd4db9-4
0.553
MAT-POS-90fd5f68-14
0.553
MAT-POS-29385cc1-2
0.553
PET-UNK-d899bab6-2
0.553
PET-UNK-c6bcc80b-7
0.552
RUB-POS-1325a9ea-4
0.549
MAT-POS-c20a539d-3
0.547
PET-UNK-b38839dc-1
0.547
MAT-POS-29385cc1-1
0.547
MAT-POS-90fd5f68-21
0.547
MIC-UNK-4fbd4db9-3
0.543
MAT-POS-f7918075-5
0.543
MAT-POS-90fd5f68-16
0.542
PET-UNK-d899bab6-3
0.541
PET-UNK-8df914d1-1
0.536
EDJ-MED-00c1612e-1
0.536
MAT-POS-90fd5f68-40
0.530
MAT-POS-90fd5f68-22
0.529
MAT-POS-90fd5f68-25
0.529
PET-UNK-d899bab6-1
0.529
MAT-POS-90fd5f68-27
0.529
MAT-POS-90fd5f68-35
0.529
JIN-POS-6dc588a4-12
0.524
PET-UNK-f4e47ebd-1
0.523
PET-UNK-7fb4f80a-3
0.522
MAT-POS-90fd5f68-39
0.517
PET-UNK-7fb4f80a-4
0.516
RUB-POS-1325a9ea-13
0.512
PET-UNK-7f7e354d-7
0.512
MAK-UNK-ffc90da7-9
0.510
RUB-POS-1325a9ea-3
0.506
RUB-POS-1325a9ea-5
0.506
MIC-UNK-50cce87d-3
0.506
PET-UNK-b1ef24dc-3
0.506
MAT-POS-90fd5f68-29
0.506
MAT-POS-90fd5f68-30
0.506
MAT-POS-90fd5f68-24
0.506
PET-UNK-7fb4f80a-2
0.506
RAL-THA-1d44ff04-5
0.500
MIC-UNK-51049f1a-6
0.500
MAT-POS-90fd5f68-36
0.500
MIC-UNK-08cd9c58-1
0.500
RUB-POS-1325a9ea-15
0.500
MAT-POS-bb423b95-9
0.500
MAT-POS-f7918075-3
0.500
PET-UNK-8df914d1-3
0.500
MAT-POS-90fd5f68-23
0.495
MAT-POS-90fd5f68-28
0.495
MAT-POS-c20a539d-7
0.495