Molecular Properties | |
SMILES: | O=C(Cc1ccccc1Cl)Nc1cncc2ccccc12 |
MW: | 296.07 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-12-22 |
Synthesis Location: | enamine |
Shipped: | 2020-01-20 |
MAT-POS-afd4d4fd-3
0.719
RAL-THA-2d450e86-34
0.719
MAT-POS-afd4d4fd-1
0.697
RAL-THA-2d450e86-20
0.697
RAL-THA-2d450e86-19
0.697
MAK-UNK-919546f0-4
0.689
RAL-THA-2d450e86-38
0.683
MAK-UNK-c749d764-32
0.676
RAL-THA-2d450e86-24
0.672
PET-UNK-dd44aeb6-2
0.672
RAL-THA-2d450e86-22
0.667
RAL-THA-2d450e86-21
0.667
RAL-THA-2d450e86-37
0.656
MAT-POS-fce787c2-1
0.648
RAL-THA-2d450e86-2
0.631
NAU-LAT-2fed8305-6
0.627
MAT-POS-23a8a11a-1
0.627
PET-UNK-dd44aeb6-1
0.623
RAL-THA-2d450e86-27
0.623
RAL-THA-2d450e86-25
0.623
MAT-POS-fce787c2-2
0.621
RAL-THA-2d450e86-30
0.621
RAL-THA-2d450e86-1
0.619
MAT-POS-afd4d4fd-2
0.618
RAL-THA-2d450e86-39
0.618
RAL-THA-2d450e86-40
0.618
VLA-UNK-b9c208fe-2
0.618
MAK-UNK-c749d764-11
0.614
RAL-THA-2d450e86-23
0.609
RAL-THA-2d450e86-33
0.603
NAU-LAT-2fed8305-9
0.603
ADA-UCB-6c2cb422-1
0.603
RAL-THA-2d450e86-29
0.603
MAT-POS-3b92565d-1
0.603
MAT-POS-bbbbc21a-1
0.603
DAR-DIA-0587064e-7
0.595
RAL-THA-2d450e86-9
0.592
RAL-THA-2d450e86-6
0.592
RAL-THA-2d450e86-8
0.592
RAL-THA-2d450e86-3
0.591
NAU-LAT-2fed8305-5
0.586
RAL-THA-2d450e86-26
0.586
VLA-UNK-9a7dc93f-1
0.583
RAL-THA-2d450e86-7
0.582
PET-UNK-dd44aeb6-3
0.581
RAL-THA-2d450e86-28
0.581
RAL-THA-2d450e86-16
0.574
RAL-THA-2d450e86-35
0.574
RAL-THA-2d450e86-14
0.569
RAL-THA-2d450e86-15
0.569
PET-UNK-3c72d439-1
0.569
RAL-THA-1d44ff04-3
0.566
RAL-THA-2d450e86-4
0.565
PET-UNK-bb7ffe78-1
0.562
MIC-UNK-16ccb665-3
0.560
RAL-THA-2d450e86-10
0.557
RAL-THA-2d450e86-32
0.557
RAL-THA-2d450e86-5
0.557
NAU-LAT-30527ac5-1
0.551
PET-UNK-c9c1e0d8-1
0.549
RAL-THA-2d450e86-13
0.549
ALP-POS-3b848b35-1
0.547
RAL-THA-1d44ff04-4
0.547
RAL-THA-2d450e86-18
0.547
MAT-POS-3b92565d-2
0.547
PET-UNK-c9c1e0d8-2
0.541
RAL-THA-2d450e86-17
0.539
PET-UNK-bb7ffe78-3
0.539
MAT-POS-cc05818f-1
0.539
VLA-UNK-b9c208fe-1
0.538
MIC-UNK-16ccb665-1
0.538
MIC-UNK-16ccb665-2
0.538
MIC-UNK-644c43c7-4
0.537
MAT-POS-bbbbc21a-3
0.537
RAL-THA-1d44ff04-10
0.532
RAL-THA-1d44ff04-13
0.532
RAL-THA-1d44ff04-9
0.532
MAT-POS-281d2ee9-1
0.532
RAL-THA-1d44ff04-6
0.532
IVS-FNM-f9a14d04-1
0.532
MIC-UNK-08fa0751-2
0.532
RAL-THA-2d450e86-31
0.527
RAL-THA-2d450e86-11
0.527
RAL-THA-2d450e86-12
0.527
RAL-THA-1d44ff04-5
0.526
MAK-UNK-919546f0-5
0.522
DAR-DIA-0cde14eb-48
0.519
PET-UNK-b87f07d0-2
0.518
LON-WEI-af038623-3
0.516
NAU-LAT-a5c7d7cb-1
0.514
BEN-DND-6de5dfa0-11
0.514
VLA-UCB-05e51b3f-1
0.514
ALP-POS-6747fa38-1
0.514
NIR-THE-d08c3b48-1
0.514
ALP-POS-f13221e1-3
0.514
VLA-UNK-9a7dc93f-2
0.513
DAR-DIA-0cde14eb-47
0.513
BAR-COM-0f94fc3d-47
0.512
RAL-THA-1d44ff04-11
0.512
PET-UNK-bb7ffe78-2
0.512