Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cccc2c(NC(=O)Cc3cccc(Cl)c3)cncc12 |
| MW: | 310.09 |
| Fraction sp3: | 0.11 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 4.38 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 99.5 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-04-07 |
ADA-UCB-6c2cb422-1
JIN-POS-6dc588a4-18
0.690
MAT-POS-bb423b95-9
0.681
JIN-POS-6dc588a4-13
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ADA-UCB-6c2cb422-1
0.575
MAT-POS-f7918075-5
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TRY-UNI-714a760b-6
0.571
PET-UNK-8df914d1-3
0.571
MAT-POS-bb423b95-1
0.568
MAT-POS-f7918075-3
0.566
MIC-UNK-08cd9c58-1
0.566
JIN-POS-6dc588a4-22
0.560
RUB-POS-1325a9ea-4
0.558
MAT-POS-c20a539d-6
0.558
MAT-POS-29385cc1-3
0.558
PET-UNK-b1ef24dc-4
0.553
MAT-POS-bb423b95-8
0.553
RUB-POS-1325a9ea-15
0.545
PET-UNK-7f7e354d-7
0.539
RUB-POS-1325a9ea-13
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TRY-UNI-714a760b-3
0.534
MIC-UNK-50cce87d-3
0.532
PET-UNK-b1ef24dc-3
0.532
RUB-POS-1325a9ea-3
0.532
JIN-POS-6dc588a4-12
0.532
MAT-POS-c20a539d-2
0.532
PET-UNK-f4e47ebd-2
0.531
PET-UNK-f4e47ebd-1
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PET-UNK-d899bab6-3
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JAN-GHE-5a013bed-10
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JIN-POS-6dc588a4-11
0.526
PET-UNK-8df914d1-1
0.525
EDJ-MED-00c1612e-1
0.525
SAM-UNK-2684b532-13
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ALP-POS-95b75b4d-8
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EDG-MED-0da5ad92-16
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ABI-SAT-4d06482b-2
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MAT-POS-90fd5f68-40
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MAT-POS-90fd5f68-4
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MAT-POS-90fd5f68-7
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MAT-POS-90fd5f68-22
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MAT-POS-90fd5f68-25
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MAT-POS-c20a539d-4
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PET-UNK-d899bab6-1
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MAT-POS-c20a539d-1
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ALP-POS-95b75b4d-6
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EDG-MED-0da5ad92-12
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MAT-POS-90fd5f68-37
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MAT-POS-90fd5f68-38
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MAT-POS-90fd5f68-41
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MAT-POS-90fd5f68-20
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PET-UNK-b38839dc-2
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RUB-POS-1325a9ea-17
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JIN-POS-6dc588a4-23
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MAT-POS-90fd5f68-1
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MAT-POS-90fd5f68-19
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MAT-POS-29385cc1-2
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MAT-POS-90fd5f68-2
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MAT-POS-90fd5f68-39
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PET-UNK-d899bab6-2
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PET-UNK-c6bcc80b-7
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PET-UNK-b38839dc-1
0.500
MAT-POS-c20a539d-5
0.500
PET-UNK-6314f867-2
0.500
JIN-POS-6dc588a4-3
0.500
RUB-POS-1325a9ea-19
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EDJ-MED-50fe53e8-2
0.500
MAT-POS-29385cc1-1
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MAT-POS-90fd5f68-21
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EDJ-MED-a364e151-3
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MAT-POS-c0609ef7-1
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MAT-POS-c20a539d-8
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MAT-POS-90fd5f68-3
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MAT-POS-90fd5f68-9
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MAT-POS-90fd5f68-17
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MAT-POS-90fd5f68-27
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MAT-POS-90fd5f68-35
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MAT-POS-bb423b95-5
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MAT-POS-c20a539d-3
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MAT-POS-f7918075-6
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EDG-MED-0da5ad92-21
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MIC-UNK-9dc9fcd1-4
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PET-UNK-7fb4f80a-2
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MAT-POS-90fd5f68-12
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MAT-POS-90fd5f68-30
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MAT-POS-90fd5f68-11
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MAT-POS-90fd5f68-29
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MAT-POS-29385cc1-4
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JIN-POS-6dc588a4-24
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JOH-UNI-6fede743-1
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MAT-POS-199e2e7c-1
0.494
ANN-UNI-98d2bf15-3
0.493
EDG-MED-0da5ad92-17
0.493
JOH-UNI-abfda500-4
0.493
JOH-UNI-abfda500-5
0.493
MAT-POS-90fd5f68-10
0.488
MAT-POS-90fd5f68-36
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MAT-POS-90fd5f68-18
0.488
PET-UNK-7fb4f80a-1
0.488
MAT-POS-90fd5f68-6
0.488
MAK-UNK-6ca90168-23
0.487