Molecular Properties | |
SMILES: | CC(C)(O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
MW: | 354.11 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.22 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.90561479362717 |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | 2021-09-12 |
MAK-UNK-ffc90da7-5
0.707
MAT-POS-29385cc1-3
0.689
MAT-POS-c20a539d-6
0.689
MAT-POS-bb423b95-8
0.685
MAT-POS-90fd5f68-38
0.680
JIN-POS-6dc588a4-11
0.676
MAT-POS-90fd5f68-2
0.667
MAT-POS-c20a539d-1
0.662
MAT-POS-90fd5f68-4
0.662
MAT-POS-90fd5f68-7
0.662
MAT-POS-90fd5f68-41
0.654
MAT-POS-90fd5f68-1
0.649
MAT-POS-90fd5f68-6
0.646
PET-UNK-6314f867-2
0.641
MAT-POS-c20a539d-5
0.641
MAT-POS-c0609ef7-1
0.641
MAT-POS-90fd5f68-3
0.637
MAT-POS-90fd5f68-9
0.637
MAT-POS-c20a539d-8
0.637
MIC-UNK-9dc9fcd1-1
0.637
MAT-POS-90fd5f68-17
0.637
MAT-POS-90fd5f68-11
0.633
MAT-POS-90fd5f68-12
0.630
MAT-POS-90fd5f68-10
0.622
PET-UNK-7fb4f80a-1
0.622
MAT-POS-90fd5f68-18
0.622
ADA-UCB-6c2cb422-1
0.622
MAT-POS-90fd5f68-8
0.614
MAT-POS-bb423b95-1
0.613
MAT-POS-90fd5f68-5
0.607
MIC-UNK-fbef42b7-2
0.600
MIC-UNK-9dc9fcd1-2
0.595
MAT-POS-c20a539d-2
0.595
MIC-UNK-4fbd4db9-5
0.591
MIC-UNK-4fbd4db9-2
0.589
MIC-UNK-4fbd4db9-6
0.589
MIC-UNK-fbef42b7-1
0.588
MAT-POS-90fd5f68-13
0.586
MIC-UNK-9dc9fcd1-4
0.586
MIC-UNK-9dc9fcd1-3
0.586
MAT-POS-29385cc1-2
0.585
MIC-UNK-4fbd4db9-4
0.582
RUB-POS-1325a9ea-4
0.582
MIC-UNK-9dc9fcd1-5
0.580
MAT-POS-90fd5f68-37
0.575
PET-UNK-f4e47ebd-2
0.573
PET-UNK-b38839dc-2
0.573
MIC-UNK-4fbd4db9-1
0.573
MAT-POS-90fd5f68-15
0.573
MAK-UNK-ffc90da7-3
0.573
MAK-UNK-ffc90da7-8
0.573
PET-UNK-d899bab6-2
0.566
PET-UNK-c6bcc80b-7
0.565
MAT-POS-29385cc1-1
0.560
PET-UNK-b38839dc-1
0.560
MAT-POS-c20a539d-3
0.560
MAT-POS-f7918075-5
0.557
MIC-UNK-4fbd4db9-3
0.556
PET-UNK-d899bab6-3
0.554
PET-UNK-7fb4f80a-3
0.552
PET-UNK-8df914d1-1
0.549
EDJ-MED-00c1612e-1
0.549
MAT-POS-90fd5f68-40
0.543
MAT-POS-90fd5f68-22
0.542
PET-UNK-d899bab6-1
0.542
MAT-POS-90fd5f68-25
0.542
MAT-POS-90fd5f68-20
0.536
PET-UNK-f4e47ebd-1
0.536
MAK-UNK-ffc90da7-9
0.535
PET-UNK-8df914d1-3
0.533
MAT-POS-90fd5f68-14
0.532
MAT-POS-f7918075-3
0.531
MIC-UNK-08cd9c58-1
0.531
RUB-POS-1325a9ea-15
0.531
MAT-POS-90fd5f68-19
0.530
MAT-POS-90fd5f68-39
0.529
PET-UNK-7fb4f80a-4
0.528
RUB-POS-1325a9ea-13
0.525
MAT-POS-90fd5f68-35
0.523
MAT-POS-90fd5f68-21
0.523
MAT-POS-90fd5f68-27
0.523
MAT-POS-90fd5f68-16
0.521
TRY-UNI-714a760b-3
0.519
RUB-POS-1325a9ea-5
0.519
JIN-POS-6dc588a4-12
0.519
MAT-POS-bb423b95-2
0.519
MAT-POS-90fd5f68-29
0.518
MAT-POS-90fd5f68-24
0.517
MAT-POS-90fd5f68-30
0.517
PET-UNK-7fb4f80a-2
0.517
MIC-UNK-51049f1a-6
0.512
MAT-POS-bb423b95-9
0.512
MAT-POS-90fd5f68-36
0.511
JIN-POS-6dc588a4-22
0.506
PET-UNK-e274cad4-6
0.506
PET-UNK-7f7e354d-7
0.506
JIN-POS-6dc588a4-13
0.506
PET-UNK-b1ef24dc-2
0.506
MIC-UNK-50cce87d-4
0.506
PET-UNK-e274cad4-1
0.506