Molecular Properties | |
SMILES: | O=C(Cc1cc(F)ccc1F)Nc1cncc2ccccc12 |
MW: | 298.09 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.71491545242956 |
Order Status | |
Shipped: | 2021-01-20 |
PET-UNK-dd44aeb6-1
0.746
RAL-THA-2d450e86-25
0.746
RAL-THA-2d450e86-37
0.708
RAL-THA-2d450e86-7
0.632
RAL-THA-2d450e86-35
0.623
RAL-THA-2d450e86-16
0.623
MAK-UNK-919546f0-4
0.612
RAL-THA-2d450e86-23
0.611
RAL-THA-2d450e86-10
0.606
NAU-LAT-2fed8305-9
0.606
RAL-THA-2d450e86-29
0.605
MAT-POS-3b92565d-1
0.605
MAT-POS-bbbbc21a-1
0.605
PET-UNK-dd44aeb6-2
0.603
RAL-THA-2d450e86-27
0.603
RAL-THA-2d450e86-24
0.603
RAL-THA-2d450e86-39
0.597
RAL-THA-2d450e86-6
0.595
RAL-THA-2d450e86-9
0.595
RAL-THA-2d450e86-14
0.595
RAL-THA-2d450e86-36
0.586
RAL-THA-2d450e86-38
0.586
RAL-THA-2d450e86-2
0.586
PET-UNK-dd44aeb6-3
0.584
RAL-THA-2d450e86-28
0.584
RAL-THA-2d450e86-19
0.581
RAL-THA-2d450e86-30
0.577
MAT-POS-fce787c2-2
0.577
RAL-THA-2d450e86-13
0.575
RAL-THA-2d450e86-40
0.575
VLA-UNK-b9c208fe-2
0.575
MAT-POS-afd4d4fd-3
0.575
RAL-THA-2d450e86-1
0.574
ALP-POS-df536be7-1
0.573
MIC-UNK-df9dcda8-3
0.571
MIC-UNK-df9dcda8-4
0.570
VLA-UNK-9a7dc93f-1
0.566
BEN-DND-d1eb1f41-4
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RAL-THA-2d450e86-33
0.562
ADA-UCB-6c2cb422-1
0.562
BEN-DND-d1eb1f41-6
0.557
VLA-UNK-9a7dc93f-2
0.557
RAL-THA-2d450e86-34
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MAK-UNK-c749d764-11
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RAL-THA-2d450e86-3
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NAU-LAT-2fed8305-5
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PET-UNK-bb7ffe78-1
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PET-UNK-bb7ffe78-3
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MIC-UNK-16ccb665-3
0.544
MIC-UNK-df9dcda8-1
0.543
MIC-UNK-df9dcda8-2
0.542
RAL-THA-2d450e86-32
0.541
MAT-POS-23a8a11a-1
0.541
MAT-POS-afd4d4fd-1
0.539
RAL-THA-2d450e86-20
0.539
PET-UNK-c9c1e0d8-1
0.533
RAL-THA-2d450e86-31
0.532
RAL-THA-2d450e86-15
0.532
RAL-THA-2d450e86-11
0.532
PET-UNK-3c72d439-1
0.532
RAL-THA-1d44ff04-4
0.532
ALP-POS-df536be7-5
0.531
RAL-THA-1d44ff04-3
0.531
ALP-POS-6479a3a9-2
0.530
MAR-TRE-7f7bb9f0-91
0.528
RAL-THA-2d450e86-4
0.527
MAK-UNK-c749d764-32
0.526
DAR-DIA-0cde14eb-48
0.525
VLA-UNK-b9c208fe-1
0.524
PET-UNK-1e7f2e90-1
0.524
MIC-UNK-644c43c7-4
0.524
MAT-POS-bbbbc21a-3
0.524
NAU-LAT-2fed8305-6
0.520
RAL-THA-2d450e86-5
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RAL-THA-2d450e86-21
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RAL-THA-2d450e86-22
0.519
RAL-THA-1d44ff04-13
0.519
NAU-LAT-30527ac5-1
0.518
PET-UNK-bb7ffe78-2
0.518
RAL-THA-1d44ff04-6
0.518
RAL-THA-1d44ff04-9
0.518
ALP-POS-6479a3a9-3
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ALP-POS-d7944b10-1
0.518
MIC-UNK-644c43c7-3
0.518
ALP-POS-df536be7-6
0.518
ALP-POS-d7944b10-2
0.518
MAT-POS-afd4d4fd-2
0.513
RAL-THA-2d450e86-12
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RAL-THA-2d450e86-8
0.513
ALP-POS-3b848b35-1
0.512
MAT-POS-3b92565d-2
0.512
RAL-THA-2d450e86-18
0.512
RAL-THA-1d44ff04-5
0.512
PET-UNK-8c422e11-1
0.512
PET-UNK-c9c1e0d8-2
0.506
MAT-POS-cc05818f-1
0.506
RAL-THA-2d450e86-17
0.506
MAT-POS-fce787c2-1
0.506
MIC-UNK-16ccb665-2
0.506
MIC-UNK-16ccb665-1
0.506