Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| 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: | 0.537082079670846 |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | 2021-03-31 |
ADA-UCB-6c2cb422-1
PET-UNK-8df914d1-1
0.699
EDJ-MED-00c1612e-1
0.699
MAT-POS-90fd5f68-40
0.694
MAT-POS-90fd5f68-22
0.689
MAT-POS-90fd5f68-25
0.689
PET-UNK-d899bab6-1
0.689
MAT-POS-90fd5f68-37
0.685
MAT-POS-90fd5f68-20
0.680
MAT-POS-90fd5f68-19
0.676
MAT-POS-c20a539d-6
0.671
MAT-POS-29385cc1-3
0.671
MAT-POS-90fd5f68-39
0.671
MAT-POS-90fd5f68-21
0.662
MAT-POS-90fd5f68-27
0.662
MAT-POS-90fd5f68-35
0.662
MAT-POS-90fd5f68-29
0.658
PET-UNK-7fb4f80a-2
0.654
MAT-POS-90fd5f68-30
0.654
MAT-POS-90fd5f68-24
0.654
ADA-UCB-6c2cb422-1
0.648
MAT-POS-90fd5f68-36
0.646
MAT-POS-f7918075-5
0.644
MAT-POS-c20a539d-7
0.637
MAT-POS-90fd5f68-28
0.637
MAT-POS-c20a539d-2
0.618
MAT-POS-90fd5f68-23
0.617
MAT-POS-bb423b95-1
0.616
PET-UNK-f4e47ebd-1
0.615
MAT-POS-90fd5f68-31
0.614
MAT-POS-90fd5f68-26
0.610
PET-UNK-d899bab6-2
0.608
MAT-POS-29385cc1-2
0.608
MAT-POS-29385cc1-1
0.600
PET-UNK-b38839dc-1
0.600
PET-UNK-b38839dc-2
0.595
PET-UNK-d899bab6-3
0.595
MAT-POS-90fd5f68-33
0.593
JIN-POS-6dc588a4-11
0.592
PET-UNK-c6bcc80b-7
0.585
MAT-POS-c20a539d-4
0.582
MAT-POS-90fd5f68-4
0.582
MAT-POS-c20a539d-3
0.580
MAT-POS-bb423b95-8
0.579
MAT-POS-29385cc1-4
0.577
PET-UNK-f4e47ebd-2
0.575
MAK-UNK-ffc90da7-6
0.573
PET-UNK-7fb4f80a-3
0.571
RUB-POS-1325a9ea-15
0.571
MAT-POS-90fd5f68-1
0.570
JIN-POS-6dc588a4-13
0.566
PET-UNK-7fb4f80a-4
0.565
MAT-POS-c20a539d-1
0.562
MAT-POS-90fd5f68-7
0.562
RUB-POS-1325a9ea-5
0.558
EDJ-MED-c5ca5386-1
0.558
MAT-POS-90fd5f68-38
0.557
PET-UNK-8df914d1-3
0.556
MAT-POS-90fd5f68-41
0.556
MAT-POS-90fd5f68-32
0.556
MAT-POS-90fd5f68-12
0.554
MIC-UNK-7574fcc6-1
0.551
MAT-POS-90fd5f68-6
0.549
MAT-POS-90fd5f68-2
0.549
RUB-POS-1325a9ea-13
0.545
JIN-POS-6dc588a4-22
0.545
MAT-POS-c0609ef7-1
0.543
MAT-POS-c20a539d-5
0.543
PET-UNK-6314f867-2
0.543
MAT-POS-c20a539d-8
0.542
MAT-POS-90fd5f68-3
0.542
MAT-POS-90fd5f68-9
0.542
MAT-POS-90fd5f68-17
0.542
TRY-UNI-714a760b-3
0.541
RUB-POS-1325a9ea-3
0.538
MIC-UNK-50cce87d-3
0.538
PET-UNK-b1ef24dc-3
0.538
MAT-POS-90fd5f68-34
0.538
MAT-POS-90fd5f68-11
0.537
RAL-THA-2d450e86-13
0.532
MAT-POS-bb423b95-9
0.532
MAT-POS-8feb6e35-2
0.530
MAT-POS-90fd5f68-18
0.529
PET-UNK-7fb4f80a-1
0.529
MAT-POS-90fd5f68-10
0.529
PET-UNK-7f7e354d-7
0.526
PET-UNK-e274cad4-6
0.526
PET-UNK-b1ef24dc-2
0.526
JIN-POS-6dc588a4-18
0.525
MAT-POS-8feb6e35-1
0.524
EDJ-MED-c5ca5386-2
0.524
MIC-UNK-9dc9fcd1-1
0.524
JIN-POS-6dc588a4-14
0.519
PET-UNK-b1ef24dc-4
0.519
JIN-POS-6dc588a4-12
0.519
RUB-POS-1325a9ea-2
0.519
MIC-UNK-50cce87d-1
0.519
MIC-UNK-9dc9fcd1-3
0.517
JAN-GHE-5a013bed-10
0.514
TRY-UNI-714a760b-6
0.514
MIC-UNK-50cce87d-2
0.513