Molecular Properties | |
SMILES: | O=C(Nc1cnc2ccccn12)C1CCOc2ccc(Cl)cc21 |
MW: | 327.08 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 55.63 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.25603972872287 |
Order Status | |
Ordered: | 2021-05-29 |
Synthesis Location: | enamine |
Shipped: | 2021-06-15 |
PET-UNK-8df914d1-2
BEN-DND-02317c5c-3
1.000
BEN-DND-02317c5c-2
0.707
MAT-POS-51833a24-5
0.702
BEN-DND-02317c5c-4
0.702
MAT-POS-51833a24-2
0.694
MAT-POS-51833a24-6
0.670
MAT-POS-51833a24-4
0.667
MAT-POS-51833a24-3
0.614
BEN-DND-02317c5c-6
0.584
RAL-THA-3d7a794f-4
0.583
RAL-THA-9041a04d-6
0.567
RAL-THA-04c5403f-1
0.567
RAL-THA-3d7a794f-1
0.563
JAG-UCB-c61058a9-22
0.563
PET-UNK-3e029fdc-1
0.563
NAU-LAT-8502cac5-14
0.560
RAL-THA-9041a04d-1
0.553
RAL-THA-3d7a794f-2
0.551
RAL-THA-3d7a794f-3
0.551
JOH-UNI-1b27fa5e-7
0.545
EDJ-MED-827e7cb4-7
0.538
RAL-THA-9041a04d-4
0.538
MAT-POS-a54ce14d-1
0.538
PET-UNK-158bee2a-7
0.535
NAU-LAT-8502cac5-11
0.534
RAL-THA-9041a04d-5
0.533
MAT-UCB-70f7c0f7-6
0.527
RAL-THA-04c5403f-2
0.527
RAL-THA-9041a04d-3
0.527
RAL-THA-9041a04d-2
0.526
RAL-THA-9041a04d-7
0.526
MAT-POS-a3f7f96a-2
0.523
JAG-UCB-c61058a9-6
0.523
EDJ-MED-51d3200d-3
0.522
RAL-THA-b00e3cbf-1
0.521
JOH-SUS-a69c159d-3
0.521
JOH-SUS-a69c159d-4
0.521
NAU-LAT-8502cac5-16
0.517
JAG-UCB-c61058a9-41
0.517
NAU-LAT-8502cac5-15
0.517
JOH-UNI-1b27fa5e-6
0.516
JOH-SUS-a69c159d-1
0.516
JOH-SUS-a69c159d-2
0.516
ADA-UCB-dc2b944c-12
0.516
EDJ-MED-51d3200d-2
0.516
NAU-LAT-8502cac5-10
0.511
RAL-THA-b74298ba-1
0.511
MAT-POS-b5c94171-1
0.511
JAG-UCB-c61058a9-9
0.511
TAT-ENA-0e28ea53-1
0.511
MAT-POS-8293a91a-1
0.511
MAT-POS-a2421bb6-4
0.511
ADA-UCB-dc2b944c-11
0.511
VLA-UNK-0ffe3317-7
0.505
MAT-POS-1f3c8e6f-1
0.505
PET-UNK-158bee2a-5
0.505
NAU-LAT-b7d8c353-1
0.505
MAT-POS-f7918075-1
0.505
BEN-DND-02317c5c-5
0.505
MAT-POS-b3e365b9-1
0.505
MAT-POS-b3e365b9-2
0.505
MAT-POS-500f4700-2
0.505
VLA-UCB-1dbca3b4-15
0.505
JAG-UCB-52b62a6f-1
0.505
LON-WEI-0a73fcb8-3
0.505
BEN-DND-02317c5c-7
0.505
EDJ-MED-51d3200d-4
0.500
MAT-POS-b3e365b9-3
0.500
NAU-LAT-b7d8c353-7
0.500
PET-UNK-b38839dc-3
0.500
MAT-POS-b3e365b9-4
0.500
JOH-UNI-1b27fa5e-5
0.500
JAG-UCB-a3ef7265-20
0.500
JAG-UCB-119787ef-1
0.500
MAT-POS-968e8d9c-1
0.500
BEN-DND-a02b439d-7
0.500
DAR-DIA-6a508060-6
0.500
JAG-UCB-c61058a9-21
0.500
JAN-GHE-f4ca5a00-13
0.500
RAL-THA-b74298ba-3
0.500
EDJ-MED-51d3200d-1
0.500
MAT-POS-500f4700-1
0.500
ADA-UCB-dc2b944c-9
0.500
ADA-UCB-dc2b944c-10
0.500
BRU-CON-c4e3408a-1
0.500
EDG-MED-fe7487f8-9
0.500
JOH-UNI-f51e3bbc-3
0.500
JOH-UNI-f51e3bbc-2
0.495
NAU-LAT-b7d8c353-5
0.495
JAG-UCB-52b62a6f-7
0.495
PET-UNK-e274cad4-7
0.495
VLA-UNK-0ffe3317-1
0.495
MIC-UNK-deda7a44-6
0.495
JAG-UCB-52b62a6f-6
0.495
MAT-POS-7ddaf7de-4
0.495
JAG-UCB-c61058a9-7
0.495
MAT-POS-afb6844f-1
0.495
VLA-UCB-05e51b3f-19
0.490
VLA-UCB-05e51b3f-20
0.490
JAG-UCB-52b62a6f-13
0.490