Molecule Details
| Molecular Properties | |
| SMILES: | COCc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 340.1 |
| Fraction sp3: | 0.16 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 51.22 |
| cLogP: | 4.22 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 2.20806435855456 |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | 2021-10-07 |
MAT-POS-90fd5f68-40
0.740
MAT-POS-90fd5f68-41
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EDJ-MED-00c1612e-1
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PET-UNK-8df914d1-1
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RUB-POS-1325a9ea-4
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PET-UNK-7fb4f80a-2
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MAT-POS-90fd5f68-25
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PET-UNK-d899bab6-1
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MAT-POS-90fd5f68-22
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MAT-POS-90fd5f68-35
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MAT-POS-c20a539d-2
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MAT-POS-90fd5f68-37
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MAT-POS-90fd5f68-29
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MAT-POS-90fd5f68-20
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MAT-POS-90fd5f68-19
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MAT-POS-90fd5f68-36
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MAT-POS-90fd5f68-27
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MAT-POS-90fd5f68-21
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MAT-POS-90fd5f68-24
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MAT-POS-90fd5f68-30
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ADA-UCB-6c2cb422-1
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MAT-POS-f7918075-5
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MAT-POS-29385cc1-1
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PET-UNK-b38839dc-1
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MAT-POS-90fd5f68-23
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MAT-POS-90fd5f68-28
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MAT-POS-c20a539d-7
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MAT-POS-90fd5f68-31
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PET-UNK-f4e47ebd-1
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PET-UNK-b38839dc-2
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MAT-POS-29385cc1-2
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MAT-POS-90fd5f68-33
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MAT-POS-90fd5f68-26
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PET-UNK-d899bab6-2
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MAT-POS-c20a539d-1
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MAT-POS-bb423b95-8
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PET-UNK-f4e47ebd-2
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PET-UNK-d899bab6-3
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MAK-UNK-ffc90da7-6
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MAT-POS-90fd5f68-32
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MAT-POS-bb423b95-1
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PET-UNK-c6bcc80b-7
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PET-UNK-7fb4f80a-1
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PET-UNK-7fb4f80a-4
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MAT-POS-29385cc1-3
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MAT-POS-c20a539d-6
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MAT-POS-90fd5f68-4
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MAT-POS-c20a539d-3
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PET-UNK-7fb4f80a-3
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JIN-POS-6dc588a4-11
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JIN-POS-6dc588a4-18
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MAT-POS-c20a539d-4
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MAT-POS-90fd5f68-7
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MAT-POS-90fd5f68-17
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MAT-POS-c20a539d-8
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MAT-POS-90fd5f68-34
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PET-UNK-b1ef24dc-3
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MAT-POS-29385cc1-4
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MAT-POS-90fd5f68-38
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MAT-POS-90fd5f68-11
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MAT-POS-90fd5f68-12
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MIC-UNK-08cd9c58-1
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MAT-POS-f7918075-3
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MAT-POS-90fd5f68-1
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MAT-POS-8feb6e35-2
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MAT-POS-90fd5f68-2
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MAT-POS-90fd5f68-6
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MAT-POS-90fd5f68-18
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MIC-UNK-50cce87d-4
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RUB-POS-1325a9ea-9
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MAT-POS-c20a539d-5
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EDJ-MED-c5ca5386-2
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PET-UNK-6314f867-2
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MAT-POS-c0609ef7-1
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MIC-UNK-9dc9fcd1-1
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MAT-POS-90fd5f68-3
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MAT-POS-90fd5f68-9
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RUB-POS-1325a9ea-5
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EDJ-MED-c5ca5386-1
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MIC-UNK-7574fcc6-1
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RUB-POS-1325a9ea-15
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MAT-POS-90fd5f68-10
0.500
MIC-UNK-fbef42b7-2
0.500
PET-UNK-8df914d1-3
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JAN-GHE-5a013bed-10
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MAT-POS-bb423b95-9
0.500
MAK-UNK-ffc90da7-8
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MIC-UNK-9dc9fcd1-2
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PET-UNK-e274cad4-1
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RUB-POS-1325a9ea-14
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RUB-POS-1325a9ea-12
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PET-UNK-e274cad4-6
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PET-UNK-7f7e354d-7
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JIN-POS-6dc588a4-13
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JIN-POS-6dc588a4-22
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RUB-POS-1325a9ea-13
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JIN-POS-6dc588a4-3
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MAT-POS-90fd5f68-13
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MIC-UNK-9dc9fcd1-4
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MIC-UNK-9dc9fcd1-3
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