Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)n1)Nc1cncc2ccccc12 |
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: | 40.6503980473087 |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Ordered: | 2020-09-14 |
Synthesis Location: | enamine |
Shipped: | 2020-12-09 |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
PET-UNK-3c72d439-1
RAL-THA-2d450e86-33
0.662
RAL-THA-2d450e86-36
0.618
PET-UNK-3c72d439-1
0.603
RAL-THA-2d450e86-2
0.594
ADA-UCB-6c2cb422-1
0.592
RAL-THA-2d450e86-19
0.589
MAT-POS-fce787c2-2
0.586
RAL-THA-2d450e86-30
0.586
MAT-POS-afd4d4fd-3
0.583
RAL-THA-2d450e86-1
0.582
MAK-UNK-919546f0-4
0.574
NAU-LAT-2fed8305-6
0.569
NAU-LAT-2fed8305-9
0.569
MAT-POS-23a8a11a-1
0.569
MAT-POS-afd4d4fd-1
0.568
RAL-THA-2d450e86-20
0.568
RAL-THA-2d450e86-21
0.566
RAL-THA-2d450e86-13
0.562
RAL-THA-2d450e86-34
0.562
VLA-UNK-b9c208fe-2
0.562
RAL-THA-2d450e86-3
0.557
NAU-LAT-2fed8305-5
0.554
MAK-UNK-c749d764-32
0.553
BEN-DND-d1eb1f41-4
0.551
RAL-THA-2d450e86-37
0.549
RAL-THA-2d450e86-7
0.549
RAL-THA-2d450e86-38
0.549
RAL-THA-2d450e86-10
0.548
RAL-THA-2d450e86-32
0.548
RAL-THA-2d450e86-27
0.547
RAL-THA-2d450e86-25
0.547
PET-UNK-dd44aeb6-1
0.547
PET-UNK-dd44aeb6-2
0.547
RAL-THA-2d450e86-24
0.547
RAL-THA-2d450e86-22
0.545
RAL-THA-2d450e86-16
0.542
RAL-THA-2d450e86-35
0.542
PET-UNK-c9c1e0d8-1
0.541
RAL-THA-2d450e86-8
0.539
RAL-THA-2d450e86-15
0.539
RAL-THA-2d450e86-9
0.539
MAK-UNK-c749d764-11
0.539
RAL-THA-2d450e86-6
0.539
RAL-THA-2d450e86-14
0.539
RAL-THA-2d450e86-31
0.539
MIC-UNK-df9dcda8-3
0.538
RAL-THA-2d450e86-4
0.534
RAL-THA-2d450e86-23
0.533
PET-UNK-bb7ffe78-1
0.532
VLA-UNK-9a7dc93f-1
0.532
MAT-POS-bbbbc21a-1
0.532
MAT-POS-3b92565d-1
0.532
MAT-POS-fce787c2-1
0.532
RAL-THA-2d450e86-29
0.532
RAL-THA-2d450e86-5
0.527
BEN-DND-d1eb1f41-6
0.525
RAL-THA-1d44ff04-6
0.524
MIC-UNK-08fa0751-2
0.524
RAL-THA-2d450e86-40
0.520
RAL-THA-2d450e86-39
0.520
RAL-THA-2d450e86-11
0.519
RAL-THA-2d450e86-12
0.519
RAL-THA-2d450e86-18
0.519
ALP-POS-3b848b35-1
0.519
MAT-POS-3b92565d-2
0.519
RAL-THA-1d44ff04-4
0.519
MIC-UNK-df9dcda8-4
0.519
PET-UNK-8c422e11-1
0.519
ALP-POS-6479a3a9-2
0.518
RAL-THA-2d450e86-26
0.513
PET-UNK-c9c1e0d8-2
0.513
RAL-THA-2d450e86-17
0.512
PET-UNK-bb7ffe78-3
0.512
MIC-UNK-16ccb665-3
0.512
RAL-THA-2d450e86-28
0.512
PET-UNK-dd44aeb6-3
0.512
MAT-POS-cc05818f-1
0.512
ALP-POS-f13221e1-3
0.506
DAR-DIA-0cde14eb-47
0.506
RAL-THA-1d44ff04-13
0.506
RAL-THA-1d44ff04-10
0.506
PET-UNK-8c422e11-2
0.506
NAU-LAT-30527ac5-1
0.506
ALP-POS-d7944b10-2
0.506
ALP-POS-df536be7-6
0.506
ALP-POS-df536be7-5
0.500
RAL-THA-1d44ff04-3
0.500
RAL-THA-1d44ff04-5
0.500
RAL-THA-1d44ff04-7
0.494
MIC-UNK-df9dcda8-1
0.494
MIC-UNK-16ccb665-2
0.494
VLA-UNK-b9c208fe-1
0.494
MIC-UNK-16ccb665-1
0.494
PET-UNK-8c422e11-3
0.494
PET-UNK-1e7f2e90-1
0.494
DAR-DIA-0cde14eb-46
0.494
DAR-DIA-0cde14eb-48
0.494
ALP-POS-f13221e1-2
0.494
MAK-UNK-919546f0-5
0.493
MIC-UNK-644c43c7-3
0.488