Molecule Details
| Molecular Properties | |
| SMILES: | COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 326.08 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 51.22 |
| cLogP: | 4.08 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| MolPort: | MolPort-047-564-347 |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.897800405241959 |
| IC50 (µM) - RapidFire: | 0.549993865056918 |
| Order Status | |
| Ordered: | 2020-07-25 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-15 |
EDJ-MED-00c1612e-1
1.000
PET-UNK-7fb4f80a-2
0.770
MAT-POS-90fd5f68-24
0.747
MAT-POS-90fd5f68-23
0.727
MAT-POS-90fd5f68-31
0.722
RUB-POS-1325a9ea-4
0.699
MAT-POS-90fd5f68-39
0.697
MAT-POS-90fd5f68-33
0.695
MAT-POS-c20a539d-1
0.693
MAT-POS-90fd5f68-40
0.676
MAT-POS-90fd5f68-22
0.671
MAT-POS-90fd5f68-25
0.671
PET-UNK-d899bab6-1
0.671
MAT-POS-90fd5f68-27
0.667
MAT-POS-90fd5f68-37
0.667
MAT-POS-c20a539d-2
0.667
MAT-POS-90fd5f68-20
0.662
MAT-POS-90fd5f68-19
0.658
MAT-POS-90fd5f68-32
0.651
MAT-POS-90fd5f68-36
0.650
MAT-POS-90fd5f68-35
0.646
MAT-POS-90fd5f68-21
0.646
PET-UNK-f4e47ebd-1
0.641
PET-UNK-b38839dc-2
0.641
MAT-POS-90fd5f68-29
0.641
MAT-POS-90fd5f68-30
0.637
MAT-POS-29385cc1-2
0.633
ADA-UCB-6c2cb422-1
0.630
MAT-POS-90fd5f68-34
0.629
MAT-POS-f7918075-5
0.627
MAT-POS-29385cc1-1
0.625
PET-UNK-b38839dc-1
0.625
MAT-POS-90fd5f68-28
0.622
MAT-POS-c20a539d-7
0.622
PET-UNK-f4e47ebd-2
0.600
MAT-POS-bb423b95-1
0.600
MAT-POS-90fd5f68-26
0.595
ALF-EVA-0b412456-2
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MAT-POS-90fd5f68-41
0.580
PET-UNK-d899bab6-3
0.580
PET-UNK-d899bab6-2
0.573
MAT-POS-90fd5f68-6
0.573
PET-UNK-7fb4f80a-1
0.571
MAT-POS-c20a539d-6
0.570
JIN-POS-6dc588a4-18
0.570
MAT-POS-29385cc1-3
0.570
MAT-POS-90fd5f68-4
0.568
MAT-POS-c20a539d-3
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MAT-POS-bb423b95-8
0.564
MAK-UNK-ffc90da7-6
0.560
PET-UNK-7fb4f80a-3
0.558
RAL-THA-2d450e86-11
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JIN-POS-6dc588a4-11
0.557
MAT-POS-90fd5f68-13
0.557
PET-UNK-c6bcc80b-7
0.553
PET-UNK-7fb4f80a-4
0.552
MIC-UNK-50cce87d-4
0.550
RUB-POS-1325a9ea-9
0.550
MAT-POS-c20a539d-4
0.549
MAT-POS-90fd5f68-7
0.549
MAT-POS-90fd5f68-9
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MAT-POS-90fd5f68-38
0.543
MAT-POS-90fd5f68-12
0.541
MAT-POS-90fd5f68-5
0.540
MAT-POS-90fd5f68-1
0.537
MAT-POS-90fd5f68-2
0.536
MAT-POS-90fd5f68-18
0.535
JIN-POS-6dc588a4-3
0.532
PET-UNK-7f7e354d-7
0.532
PET-UNK-6314f867-2
0.530
MAT-POS-c20a539d-5
0.530
MAT-POS-c0609ef7-1
0.530
MAT-POS-90fd5f68-17
0.529
MAT-POS-c20a539d-8
0.529
MAT-POS-90fd5f68-3
0.529
MAT-POS-90fd5f68-15
0.527
PET-UNK-b1ef24dc-4
0.525
EDJ-MED-c5ca5386-1
0.525
PET-UNK-b1ef24dc-3
0.525
RUB-POS-1325a9ea-5
0.525
MAT-POS-29385cc1-4
0.524
MAT-POS-90fd5f68-11
0.524
PET-UNK-8df914d1-3
0.520
MAT-POS-bb423b95-9
0.519
MAT-POS-f7918075-3
0.519
MIC-UNK-7574fcc6-1
0.519
RUB-POS-1325a9ea-15
0.519
MIC-UNK-08cd9c58-1
0.519
MAT-POS-90fd5f68-10
0.517
PET-UNK-e274cad4-6
0.512
JIN-POS-6dc588a4-22
0.512
JIN-POS-6dc588a4-13
0.512
RUB-POS-1325a9ea-13
0.512
EDJ-MED-c5ca5386-2
0.512
MIC-UNK-9dc9fcd1-1
0.512
TRY-UNI-714a760b-3
0.506
RUB-POS-1325a9ea-3
0.506
JIN-POS-6dc588a4-14
0.506
MIC-UNK-50cce87d-3
0.506
JIN-POS-6dc588a4-12
0.506