Molecular Properties | |
SMILES: | Cc1ccccc1CC(=O)Nc1cncc2ccccc12 |
MW: | 276.13 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 29.5343989779257 |
Order Status | |
Ordered: | 2020-12-22 |
Synthesis Location: | enamine |
Shipped: | 2021-01-20 |
MAK-UNK-919546f0-4
0.689
RAL-THA-2d450e86-36
0.683
RAL-THA-2d450e86-27
0.672
RAL-THA-2d450e86-20
0.672
MAT-POS-afd4d4fd-1
0.672
RAL-THA-2d450e86-37
0.656
RAL-THA-2d450e86-22
0.643
MAT-POS-afd4d4fd-3
0.642
RAL-THA-2d450e86-39
0.642
RAL-THA-2d450e86-3
0.641
MAT-POS-fce787c2-1
0.625
RAL-THA-2d450e86-19
0.623
RAL-THA-2d450e86-1
0.619
RAL-THA-2d450e86-34
0.618
RAL-THA-2d450e86-40
0.618
RAL-THA-2d450e86-23
0.609
MAK-UNK-c749d764-32
0.606
RAL-THA-2d450e86-21
0.597
RAL-THA-2d450e86-13
0.594
RAL-THA-2d450e86-8
0.592
MAK-UNK-c749d764-11
0.592
RAL-THA-2d450e86-4
0.588
RAL-THA-2d450e86-26
0.586
RAL-THA-2d450e86-7
0.582
RAL-THA-2d450e86-2
0.582
RAL-THA-2d450e86-25
0.577
RAL-THA-2d450e86-24
0.577
PET-UNK-dd44aeb6-2
0.577
PET-UNK-dd44aeb6-1
0.577
RAL-THA-2d450e86-16
0.574
RAL-THA-2d450e86-35
0.574
RAL-THA-2d450e86-30
0.574
MAT-POS-fce787c2-2
0.574
RAL-THA-2d450e86-15
0.569
MAT-POS-3b92565d-1
0.560
MAT-POS-bbbbc21a-1
0.560
RAL-THA-2d450e86-29
0.560
BEN-DND-d1eb1f41-4
0.560
RAL-THA-2d450e86-33
0.557
ADA-UCB-6c2cb422-1
0.557
NAU-LAT-2fed8305-6
0.557
RAL-THA-2d450e86-5
0.557
RAL-THA-2d450e86-32
0.557
RAL-THA-2d450e86-10
0.557
NAU-LAT-2fed8305-9
0.557
MAT-POS-23a8a11a-1
0.557
BEN-DND-d1eb1f41-6
0.553
BAR-COM-0f94fc3d-47
0.551
MAT-POS-afd4d4fd-2
0.549
VLA-UNK-b9c208fe-2
0.549
PET-UNK-c9c1e0d8-1
0.549
RAL-THA-2d450e86-11
0.548
MIC-UNK-df9dcda8-3
0.547
MIC-UNK-df9dcda8-4
0.545
ALP-POS-df536be7-5
0.545
MAK-UNK-919546f0-5
0.544
NAU-LAT-2fed8305-5
0.542
PET-UNK-bb7ffe78-1
0.541
PET-UNK-c9c1e0d8-2
0.541
RAL-THA-2d450e86-28
0.539
PET-UNK-dd44aeb6-3
0.539
MIC-UNK-df9dcda8-1
0.538
VLA-UCB-05e51b3f-1
0.535
BEN-DND-6de5dfa0-11
0.535
NIR-THE-d08c3b48-1
0.535
NAU-LAT-a5c7d7cb-1
0.535
ALP-POS-6747fa38-1
0.535
RAL-THA-2d450e86-9
0.527
RAL-THA-2d450e86-14
0.527
PET-UNK-3c72d439-1
0.527
RAL-THA-2d450e86-6
0.527
RAL-THA-2d450e86-12
0.527
RAL-THA-2d450e86-31
0.527
RAL-THA-2d450e86-18
0.526
ALP-POS-3b848b35-1
0.526
MAT-POS-3b92565d-2
0.526
RAL-THA-1d44ff04-3
0.526
RAL-THA-1d44ff04-5
0.526
ALP-POS-6479a3a9-2
0.525
VLA-UNK-9a7dc93f-1
0.520
PET-UNK-bb7ffe78-3
0.519
DAR-DIA-0cde14eb-46
0.519
MIC-UNK-df9dcda8-2
0.519
LON-WEI-af038623-3
0.516
RAL-THA-1d44ff04-6
0.512
RAL-THA-1d44ff04-9
0.512
NAU-LAT-30527ac5-1
0.512
ALP-POS-df536be7-6
0.512
ALP-POS-d7944b10-2
0.512
ALP-POS-df536be7-1
0.512
ALP-POS-6479a3a9-3
0.512
ALP-POS-d7944b10-1
0.512
RAL-THA-1d44ff04-4
0.506
ALP-POS-f13221e1-1
0.506
PET-UNK-8c422e11-1
0.506
EDJ-MED-50011917-2
0.506
DAR-DIA-0cde14eb-48
0.500
MAT-POS-bbbbc21a-3
0.500
RAL-THA-065e0743-1
0.500
MIC-UNK-16ccb665-3
0.500