Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(Cc2ccn[nH]2)c1)Nc1cncc2ccccc12 |
MW: | 376.11 |
Fraction sp3: | 0.1 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 70.67 |
cLogP: | 4.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.0407871491875 |
IC50 (µM) - RapidFire: | 9.39101340194937 |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | 2020-11-12 |
PET-UNK-bb7ffe78-1
0.654
PET-UNK-bb7ffe78-3
0.651
MAT-POS-fce787c2-2
0.649
PET-UNK-1e7f2e90-1
0.647
PET-UNK-b87f07d0-1
0.622
RAL-THA-1d44ff04-3
0.616
PET-UNK-c5865d42-1
0.607
RAL-THA-2d450e86-15
0.602
RAL-THA-2d450e86-14
0.602
RAL-THA-1d44ff04-6
0.602
RAL-THA-1d44ff04-9
0.602
PET-UNK-b87f07d0-3
0.596
EDJ-MED-50011917-1
0.593
MIC-UNK-644c43c7-4
0.589
RAL-THA-2d450e86-30
0.588
PET-UNK-b87f07d0-2
0.587
MIC-UNK-644c43c7-3
0.582
ALP-POS-3b848b35-1
0.581
RAL-THA-1d44ff04-4
0.581
RAL-THA-2d450e86-18
0.581
MAT-POS-3b92565d-2
0.581
MIC-UNK-644c43c7-1
0.581
RAL-THA-1d44ff04-5
0.580
MIC-UNK-16ccb665-3
0.575
RAL-THA-2d450e86-17
0.575
MAT-POS-cc05818f-1
0.575
MIC-UNK-644c43c7-2
0.574
RAL-THA-1d44ff04-7
0.571
PET-UNK-b87f07d0-4
0.571
RAL-THA-1d44ff04-10
0.568
RAL-THA-1d44ff04-13
0.568
RAL-THA-1d44ff04-11
0.567
PET-UNK-8c422e11-1
0.562
MAT-POS-281d2ee9-3
0.559
MIC-UNK-16ccb665-1
0.556
PET-UNK-8c422e11-3
0.556
MIC-UNK-16ccb665-2
0.556
ADA-UCB-6c2cb422-1
0.554
MAT-POS-281d2ee9-1
0.549
MIC-UNK-08fa0751-2
0.549
PET-UNK-bb7ffe78-2
0.549
PET-UNK-8c422e11-2
0.549
MAT-POS-9ff17035-3
0.548
RAL-THA-1d44ff04-8
0.548
MAT-POS-281d2ee9-2
0.548
VLA-UNK-b9c208fe-2
0.548
DAR-DIA-0587064e-3
0.543
LON-WEI-9739a092-7
0.542
RAL-THA-1d44ff04-2
0.541
VLA-UNK-9a7dc93f-1
0.540
DAR-DIA-0587064e-4
0.538
PET-UNK-8c422e11-4
0.538
DAR-DIA-0587064e-2
0.538
RAL-THA-2d450e86-2
0.537
ALP-POS-3b848b35-2
0.536
MAT-POS-3b92565d-3
0.536
EDJ-MED-7320d5d2-1
0.536
NAU-LAT-2fed8305-9
0.536
PET-UNK-cf04cb02-1
0.531
RAL-THA-2d450e86-16
0.530
DAR-DIA-0587064e-5
0.526
RAL-THA-1d44ff04-1
0.525
NAU-LAT-2fed8305-5
0.523
DAR-DIA-0587064e-7
0.521
DAR-DIA-0587064e-6
0.520
PET-UNK-c5865d42-2
0.520
MAT-POS-23a8a11a-1
0.518
DAR-DIA-0587064e-1
0.515
MAT-POS-9ff17035-2
0.515
RAL-THA-2d450e86-35
0.512
RAL-THA-2d450e86-6
0.511
RAL-THA-2d450e86-9
0.511
NAU-LAT-0543f7f2-9
0.510
ALP-POS-fab80cf2-1
0.510
RAL-THA-2d450e86-1
0.506
LON-WEI-9739a092-4
0.505
MAT-POS-9ff17035-1
0.505
RAL-THA-1d44ff04-12
0.505
LON-WEI-9739a092-3
0.505
RAL-THA-2d450e86-7
0.500
PET-UNK-dd44aeb6-1
0.500
RAL-THA-2d450e86-25
0.500
RAL-THA-2d450e86-24
0.500
PET-UNK-dd44aeb6-2
0.500
LON-WEI-9739a092-9
0.500
LON-WEI-9739a092-6
0.495
ROB-UNI-611831f5-1
0.495
LON-WEI-9739a092-1
0.495
DAR-DIA-0587064e-8
0.495
LON-WEI-9739a092-8
0.495
PET-UNK-3c72d439-1
0.494
RAL-THA-2d450e86-8
0.494
PET-UNK-c9c1e0d8-1
0.494
VLA-UNK-b9c208fe-1
0.489
RAL-THA-2d450e86-3
0.488
LON-WEI-9739a092-2
0.485
NAU-LAT-30527ac5-1
0.484
VLA-UNK-9a7dc93f-2
0.484
ALP-POS-f13221e1-3
0.483
RAL-THA-2d450e86-27
0.483