Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2ncccc12 |
| MW: | 297.07 |
| Fraction sp3: | 0.06 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 3.46 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 67.1123602063983 |
| IC50 (µM) - RapidFire: | 57.9270096444696 |
| Order Status | |
| Ordered: | 2020-08-18 |
| Synthesis Location: | enamine |
| Shipped: | 2020-09-09 |
ADA-UCB-6c2cb422-1
MAT-POS-f7918075-3
1.000
JIN-POS-6dc588a4-18
0.592
MAT-POS-bb423b95-1
0.581
ADA-UCB-6c2cb422-1
0.568
JIN-POS-6dc588a4-10
0.566
RUB-POS-1325a9ea-5
0.566
MAT-POS-f7918075-5
0.566
MAT-POS-bb423b95-9
0.560
RUB-POS-1325a9ea-13
0.553
JIN-POS-6dc588a4-13
0.553
MAT-POS-90fd5f68-37
0.544
PET-UNK-f4e47ebd-2
0.543
PET-UNK-f4e47ebd-1
0.543
PET-UNK-7f7e354d-7
0.532
JIN-POS-6dc588a4-22
0.532
MAT-POS-c20a539d-4
0.531
ALP-POS-95b75b4d-6
0.528
PET-UNK-b1ef24dc-4
0.526
RUB-POS-1325a9ea-11
0.526
PET-UNK-b1ef24dc-3
0.526
MAT-POS-bb423b95-8
0.526
MAT-POS-bb423b95-2
0.526
JIN-POS-6dc588a4-12
0.526
MAT-POS-90fd5f68-38
0.525
MAT-POS-c20a539d-2
0.525
PET-UNK-d899bab6-3
0.524
JAN-GHE-5a013bed-10
0.521
JIN-POS-6dc588a4-11
0.519
RUB-POS-1325a9ea-15
0.519
MAT-POS-f7918075-8
0.519
EDJ-MED-00c1612e-1
0.519
PET-UNK-8df914d1-1
0.519
MAT-POS-90fd5f68-39
0.518
ALP-POS-95b75b4d-8
0.514
SAM-UNK-2684b532-13
0.514
MAT-POS-f7918075-6
0.513
EDJ-MED-50fe53e8-2
0.513
RUB-POS-1325a9ea-4
0.512
MAT-POS-29385cc1-3
0.512
MAT-POS-90fd5f68-40
0.512
MAT-POS-c20a539d-6
0.512
MAT-POS-c20a539d-1
0.512
EDG-MED-0da5ad92-14
0.507
SID-ELM-2583a2cd-21
0.506
MAT-POS-90fd5f68-41
0.506
PET-UNK-b38839dc-2
0.506
TRY-UNI-714a760b-6
0.500
MAT-POS-29385cc1-2
0.500
PET-UNK-8df914d1-3
0.500
MAT-POS-90fd5f68-6
0.500
MAT-POS-90fd5f68-19
0.500
JIN-POS-6dc588a4-23
0.500
MAT-POS-90fd5f68-1
0.500
RUB-POS-1325a9ea-17
0.500
MAT-POS-90fd5f68-2
0.500
MAT-POS-90fd5f68-23
0.494
MIC-UNK-9dc9fcd1-1
0.494
MAT-POS-29385cc1-1
0.494
MAT-POS-c20a539d-3
0.494
PET-UNK-b38839dc-1
0.494
MAT-POS-c20a539d-8
0.494
MAT-POS-90fd5f68-4
0.494
MAT-POS-90fd5f68-22
0.494
MAT-POS-90fd5f68-7
0.494
MAT-POS-c20a539d-5
0.494
PET-UNK-d899bab6-1
0.494
MAT-POS-c0609ef7-1
0.494
MAT-POS-90fd5f68-25
0.494
PET-UNK-6314f867-2
0.494
PET-UNK-b1ef24dc-2
0.494
EDJ-MED-a364e151-3
0.494
RUB-POS-1325a9ea-19
0.494
SAM-UNK-2684b532-12
0.494
JIN-POS-6dc588a4-4
0.494
JIN-POS-6dc588a4-3
0.494
ABI-SAT-4d06482b-2
0.493
MAT-POS-90fd5f68-5
0.489
MAT-POS-90fd5f68-30
0.488
MAT-POS-90fd5f68-24
0.488
MAT-POS-90fd5f68-29
0.488
MAT-POS-90fd5f68-11
0.488
MAT-POS-90fd5f68-20
0.488
JOH-UNI-6fede743-1
0.487
JIN-POS-6dc588a4-24
0.487
SID-ELM-2583a2cd-20
0.487
AGN-NEW-c7b24fe3-4
0.487
JOH-UNI-abfda500-5
0.487
AGN-NEW-c7b24fe3-5
0.487
ANN-UNI-98d2bf15-3
0.487
TRY-UNI-714a760b-3
0.487
JOH-UNI-abfda500-4
0.487
PET-UNK-d899bab6-2
0.482
RUB-POS-1325a9ea-8
0.481
ALP-POS-95b75b4d-5
0.481
MAT-POS-bb423b95-4
0.481
JIN-POS-6dc588a4-2
0.481
AGN-NEW-c7b24fe3-1
0.481
MAK-UNK-6ca90168-23
0.481
MAT-POS-90fd5f68-8
0.477
MAT-POS-c20a539d-7
0.477