Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cccc(F)c12 |
MW: | 314.06 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.30603210828413 |
Order Status | |
Ordered: | 2021-03-23 |
Synthesis Location: | enamine |
Shipped: | 2021-06-15 |
RUB-POS-1325a9ea-2
1.000
MIC-UNK-7574fcc6-1
0.700
MIC-UNK-51049f1a-6
0.681
EDJ-MED-6ab52e52-1
0.681
MIC-UNK-50cce87d-2
0.681
RUB-POS-1325a9ea-9
0.667
MIC-UNK-50cce87d-4
0.667
EDJ-MED-c5ca5386-1
0.662
MIC-UNK-50cce87d-3
0.662
RUB-POS-1325a9ea-3
0.662
MIC-UNK-668ac5de-1
0.658
MIC-UNK-51049f1a-5
0.658
JOH-UNI-3fc3434e-3
0.649
JOH-UNI-ee5ed7c8-3
0.649
PET-UNK-6314f867-3
0.635
MAT-POS-29385cc1-4
0.613
JOH-UNI-ee5ed7c8-1
0.610
JOH-UNI-3fc3434e-1
0.610
MAT-POS-8feb6e35-1
0.597
JOH-UNI-ee5ed7c8-2
0.560
JOH-UNI-3fc3434e-2
0.560
EDJ-MED-c5ca5386-2
0.557
JIN-POS-6dc588a4-11
0.545
MIC-UNK-67d4a29a-2
0.544
MAT-POS-8feb6e35-2
0.543
PET-UNK-e274cad4-6
0.539
JIN-POS-6dc588a4-13
0.539
ADA-UCB-6c2cb422-1
0.533
JAN-GHE-5a013bed-10
0.529
PET-UNK-8df914d1-3
0.528
MAT-POS-bb423b95-1
0.526
PET-UNK-d899bab6-2
0.524
MAT-POS-29385cc1-2
0.524
PET-UNK-b1ef24dc-1
0.519
PET-UNK-b1ef24dc-2
0.519
RUB-POS-1325a9ea-12
0.519
RUB-POS-1325a9ea-4
0.519
PET-UNK-b38839dc-1
0.518
MAT-POS-29385cc1-1
0.518
TRY-UNI-714a760b-3
0.514
MAT-POS-bb423b95-8
0.513
MAT-POS-f7918075-5
0.513
MAT-POS-bb423b95-2
0.513
JIN-POS-6dc588a4-14
0.513
PET-UNK-7fb4f80a-3
0.512
PET-UNK-c6bcc80b-7
0.506
PET-UNK-7fb4f80a-4
0.506
JIN-POS-6dc588a4-4
0.500
MAT-POS-c0609ef7-1
0.500
SAM-UNK-2684b532-13
0.500
ALP-POS-95b75b4d-8
0.500
PET-UNK-e274cad4-1
0.500
MAT-POS-29385cc1-3
0.500
EDJ-MED-239d8ca5-1
0.500
EDJ-MED-239d8ca5-2
0.500
RUB-POS-1325a9ea-14
0.500
MAT-POS-90fd5f68-7
0.500
MAT-POS-90fd5f68-40
0.500
SAM-UNK-2684b532-12
0.500
MAT-POS-90fd5f68-25
0.500
PET-UNK-d899bab6-1
0.500
MAT-POS-c20a539d-6
0.500
MAT-POS-90fd5f68-41
0.494
MAT-POS-c20a539d-2
0.494
MAT-POS-90fd5f68-38
0.494
MAT-POS-90fd5f68-37
0.494
MIC-UNK-f2576da4-1
0.494
JOH-UNI-abfda500-5
0.493
ANN-UNI-98d2bf15-3
0.493
ALP-POS-95b75b4d-6
0.493
MAT-POS-90fd5f68-6
0.488
MAT-POS-90fd5f68-1
0.488
MAT-POS-90fd5f68-19
0.488
EDJ-MED-00c1612e-1
0.488
PET-UNK-8df914d1-1
0.488
TRY-UNI-714a760b-6
0.486
MAT-POS-90fd5f68-3
0.482
MAT-POS-90fd5f68-21
0.482
MAT-POS-90fd5f68-4
0.482
MAT-POS-c20a539d-5
0.482
MAT-POS-c20a539d-1
0.482
MAT-POS-90fd5f68-22
0.482
MAT-POS-c20a539d-4
0.482
PET-UNK-6314f867-2
0.482
SAM-UNK-2684b532-11
0.481
RUB-POS-1325a9ea-19
0.481
ABI-SAT-4d06482b-2
0.480
MAT-POS-90fd5f68-24
0.477
PET-UNK-7fb4f80a-2
0.477
MAT-POS-90fd5f68-20
0.476
MAT-POS-90fd5f68-29
0.476
PET-UNK-f4e47ebd-1
0.476
MAT-POS-90fd5f68-11
0.476
PET-UNK-f4e47ebd-2
0.476
PET-UNK-d899bab6-3
0.476
PET-UNK-b38839dc-2
0.476
PET-UNK-b1ef24dc-3
0.475
MAT-POS-199e2e7c-1
0.475
JOH-UNI-6fede743-1
0.475
ALP-POS-95b75b4d-7
0.474