Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)ccn1)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: | 3.39726824812966 |
IC50 (µM) - RapidFire: | 11.3806891066097 |
Order Status | |
Ordered: | 2020-09-14 |
Synthesis Location: | enamine |
Shipped: | 2020-10-06 |
4-halopyridine
MAT-POS-afd4d4fd-2
RAL-THA-2d450e86-33
0.657
ADA-UCB-6c2cb422-1
0.611
MAT-POS-fce787c2-2
0.606
RAL-THA-2d450e86-30
0.606
MAT-POS-afd4d4fd-2
0.603
RAL-THA-2d450e86-2
0.592
NAU-LAT-2fed8305-6
0.589
NAU-LAT-2fed8305-9
0.589
RAL-THA-2d450e86-27
0.587
PET-UNK-dd44aeb6-1
0.587
RAL-THA-2d450e86-24
0.587
RAL-THA-2d450e86-25
0.587
PET-UNK-dd44aeb6-2
0.587
NAU-LAT-2fed8305-5
0.573
RAL-THA-2d450e86-36
0.569
MAT-POS-23a8a11a-1
0.568
RAL-THA-2d450e86-34
0.560
VLA-UNK-b9c208fe-2
0.560
RAL-THA-2d450e86-15
0.558
RAL-THA-2d450e86-6
0.558
RAL-THA-2d450e86-14
0.558
RAL-THA-2d450e86-1
0.557
MIC-UNK-df9dcda8-3
0.557
PET-UNK-bb7ffe78-1
0.551
PET-UNK-dd44aeb6-3
0.550
RAL-THA-2d450e86-28
0.550
MAT-POS-bbbbc21a-1
0.550
RAL-THA-2d450e86-29
0.550
MAT-POS-3b92565d-1
0.550
BEN-DND-d1eb1f41-4
0.550
MAK-UNK-919546f0-4
0.549
BEN-DND-d1eb1f41-6
0.543
RAL-THA-1d44ff04-13
0.543
RAL-THA-2d450e86-16
0.541
RAL-THA-2d450e86-35
0.541
MAT-POS-afd4d4fd-3
0.539
PET-UNK-c9c1e0d8-1
0.539
RAL-THA-2d450e86-8
0.538
RAL-THA-2d450e86-9
0.538
ALP-POS-3b848b35-1
0.537
MAT-POS-3b92565d-2
0.537
RAL-THA-2d450e86-18
0.537
RAL-THA-1d44ff04-4
0.537
RAL-THA-1d44ff04-5
0.537
MIC-UNK-df9dcda8-4
0.537
RAL-THA-2d450e86-3
0.534
RAL-THA-2d450e86-26
0.532
VLA-UNK-9a7dc93f-1
0.532
ALP-POS-f13221e1-2
0.532
MAT-POS-cc05818f-1
0.531
PET-UNK-bb7ffe78-3
0.531
RAL-THA-2d450e86-17
0.531
MIC-UNK-16ccb665-3
0.531
MIC-UNK-df9dcda8-1
0.530
MIC-UNK-df9dcda8-2
0.529
RAL-THA-1d44ff04-7
0.529
RAL-THA-2d450e86-38
0.527
RAL-THA-2d450e86-7
0.527
RAL-THA-2d450e86-37
0.527
RAL-THA-2d450e86-10
0.526
ALP-POS-f13221e1-3
0.526
RAL-THA-2d450e86-20
0.526
RAL-THA-2d450e86-19
0.526
MAT-POS-afd4d4fd-1
0.526
RAL-THA-2d450e86-21
0.525
RAL-THA-1d44ff04-10
0.524
RAL-THA-1d44ff04-11
0.524
RAL-THA-2d450e86-13
0.519
PET-UNK-8c422e11-1
0.518
RAL-THA-1d44ff04-3
0.518
ALP-POS-6479a3a9-2
0.518
RAL-THA-2d450e86-4
0.513
MAK-UNK-c749d764-32
0.512
MAT-POS-fce787c2-1
0.512
MIC-UNK-16ccb665-2
0.512
MIC-UNK-16ccb665-1
0.512
PET-UNK-8c422e11-3
0.512
PET-UNK-1e7f2e90-1
0.512
DAR-DIA-0587064e-2
0.512
DAR-DIA-0587064e-4
0.512
RAL-THA-2d450e86-5
0.506
RAL-THA-2d450e86-32
0.506
RAL-THA-2d450e86-22
0.506
RAL-THA-1d44ff04-9
0.506
PET-UNK-8c422e11-2
0.506
NAU-LAT-30527ac5-1
0.506
MAT-POS-281d2ee9-1
0.506
RAL-THA-1d44ff04-6
0.506
MIC-UNK-08fa0751-2
0.506
PET-UNK-bb7ffe78-2
0.506
ALP-POS-d7944b10-2
0.506
ALP-POS-d7944b10-1
0.506
ALP-POS-6479a3a9-3
0.506
ALP-POS-df536be7-6
0.506
MAT-POS-9ff17035-3
0.506
RAL-THA-2d450e86-12
0.500
RAL-THA-2d450e86-11
0.500
RAL-THA-2d450e86-31
0.500
RAL-THA-2d450e86-39
0.500
RAL-THA-2d450e86-40
0.500