Molecular Properties | |
SMILES: | N#Cc1ccc(CC(=O)Nc2cncc3ccccc23)cc1 |
MW: | 287.11 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.78 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-12-22 |
Synthesis Location: | enamine |
Shipped: | 2021-01-20 |
RAL-THA-2d450e86-3
0.714
RAL-THA-2d450e86-7
0.703
RAL-THA-2d450e86-2
0.703
RAL-THA-2d450e86-1
0.694
RAL-THA-2d450e86-4
0.682
RAL-THA-2d450e86-12
0.681
RAL-THA-2d450e86-32
0.672
MAT-POS-cc05818f-1
0.644
RAL-THA-2d450e86-17
0.644
RAL-THA-2d450e86-40
0.614
MAK-UNK-919546f0-4
0.606
MAT-POS-23a8a11a-1
0.600
RAL-THA-2d450e86-16
0.594
RAL-THA-2d450e86-30
0.594
MAT-POS-fce787c2-2
0.594
RAL-THA-2d450e86-35
0.594
VLA-UNK-9a7dc93f-2
0.592
PET-UNK-c9c1e0d8-2
0.581
ADA-UCB-6c2cb422-1
0.577
RAL-THA-2d450e86-10
0.577
VLA-UNK-b9c208fe-1
0.577
RAL-THA-2d450e86-21
0.573
RAL-THA-2d450e86-13
0.569
VLA-UNK-b9c208fe-2
0.569
PET-UNK-c9c1e0d8-1
0.569
RAL-THA-2d450e86-8
0.568
RAL-THA-2d450e86-9
0.568
RAL-THA-2d450e86-6
0.568
RAL-THA-2d450e86-28
0.558
PET-UNK-dd44aeb6-3
0.558
RAL-THA-2d450e86-38
0.557
RAL-THA-2d450e86-37
0.557
RAL-THA-2d450e86-36
0.557
PET-UNK-1e7f2e90-1
0.557
DAR-DIA-0cde14eb-59
0.550
RAL-THA-2d450e86-39
0.548
RAL-THA-2d450e86-15
0.547
RAL-THA-2d450e86-11
0.547
RAL-THA-2d450e86-14
0.547
RAL-THA-2d450e86-31
0.547
NAU-LAT-2fed8305-5
0.541
VLA-UNK-9a7dc93f-1
0.539
PET-UNK-bb7ffe78-1
0.539
DAR-DIA-0cde14eb-48
0.538
RAL-THA-2d450e86-33
0.534
NAU-LAT-2fed8305-9
0.534
NAU-LAT-2fed8305-6
0.534
MAT-POS-afd4d4fd-2
0.527
MAT-POS-afd4d4fd-3
0.527
RAL-THA-2d450e86-34
0.527
MAK-UNK-c749d764-11
0.526
ALP-POS-3b848b35-1
0.526
MAT-POS-3b92565d-2
0.526
RAL-THA-2d450e86-18
0.526
RAL-THA-1d44ff04-4
0.526
ALP-POS-f13221e1-1
0.525
RAL-THA-1d44ff04-5
0.525
RAL-THA-2d450e86-26
0.520
RAL-THA-2d450e86-23
0.520
PET-UNK-bb7ffe78-3
0.519
MIC-UNK-16ccb665-3
0.519
DAR-DIA-0cde14eb-46
0.519
RAL-THA-065e0743-1
0.519
PET-UNK-c5865d42-1
0.518
LON-WEI-af038623-3
0.516
PET-UNK-dd44aeb6-1
0.513
RAL-THA-2d450e86-24
0.513
RAL-THA-2d450e86-27
0.513
RAL-THA-2d450e86-20
0.513
MAT-POS-afd4d4fd-1
0.513
RAL-THA-2d450e86-25
0.513
PET-UNK-dd44aeb6-2
0.513
RAL-THA-2d450e86-19
0.513
RAL-THA-2d450e86-22
0.513
DAR-DIA-0cde14eb-47
0.512
DAR-DIA-0cde14eb-49
0.512
RAL-THA-1d44ff04-10
0.512
RAL-THA-1d44ff04-13
0.512
RAL-THA-1d44ff04-6
0.512
PET-UNK-3c72d439-1
0.506
PET-UNK-8c422e11-1
0.506
RAL-THA-1d44ff04-3
0.506
BEN-DND-d1eb1f41-4
0.500
PET-UNK-8c422e11-3
0.500
MAK-UNK-c749d764-32
0.500
MAT-POS-c20a539d-5
0.500
MIC-UNK-644c43c7-4
0.500
MAK-UNK-919546f0-5
0.500
MAT-POS-fce787c2-1
0.500
MIC-UNK-16ccb665-2
0.500
MIC-UNK-16ccb665-1
0.500
PET-UNK-6314f867-2
0.500
RAL-THA-1d44ff04-7
0.500
RAL-THA-1d44ff04-8
0.494
MAT-POS-281d2ee9-2
0.494
MAT-POS-281d2ee9-1
0.494
RAL-THA-1d44ff04-9
0.494
RAL-THA-1d44ff04-11
0.494
PET-UNK-8c422e11-2
0.494
MIC-UNK-08fa0751-2
0.494