Molecular Properties | |
SMILES: | O=C(Cc1cc(F)cc(Cl)c1)Nc1cncc2ccccc12 |
MW: | 314.06 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.382986248121197 |
IC50 (µM) - RapidFire: | 0.435537011520936 |
Order Status | |
Ordered: | 2020-12-22 |
Synthesis Location: | enamine |
Shipped: | 2021-01-20 |
VLA-UNK-9a7dc93f-3
VLA-UNK-9a7dc93f-2
VLA-UNK-9a7dc93f-5
VLA-UNK-9a7dc93f-7
VLA-UNK-9a7dc93f-6
VLA-UNK-9a7dc93f-4
VLA-UNK-9a7dc93f-1
PET-UNK-81b485b5-28
PET-UNK-81b485b5-25
PET-UNK-81b485b5-23
PET-UNK-81b485b5-21
PET-UNK-81b485b5-18
PET-UNK-81b485b5-15
PET-UNK-81b485b5-13
PET-UNK-81b485b5-12
PET-UNK-81b485b5-7
PET-UNK-81b485b5-5
PET-UNK-81b485b5-1
PET-UNK-81b485b5-27
PET-UNK-81b485b5-26
PET-UNK-81b485b5-24
PET-UNK-81b485b5-20
PET-UNK-81b485b5-16
PET-UNK-81b485b5-11
PET-UNK-81b485b5-9
PET-UNK-81b485b5-4
PET-UNK-81b485b5-3
PET-UNK-81b485b5-2
PET-UNK-81b485b5-14
PET-UNK-81b485b5-10
PET-UNK-81b485b5-8
PET-UNK-81b485b5-22
PET-UNK-81b485b5-19
PET-UNK-81b485b5-17
PET-UNK-81b485b5-6
PET-UNK-2337ec19-4
PET-UNK-2337ec19-3
PET-UNK-2337ec19-2
PET-UNK-2337ec19-1
MAT-POS-fce787c2-2
0.781
RAL-THA-2d450e86-16
0.781
RAL-THA-2d450e86-15
0.714
PET-UNK-bb7ffe78-1
0.704
MIC-UNK-16ccb665-3
0.699
VLA-UNK-b9c208fe-2
0.696
MIC-UNK-16ccb665-2
0.693
RAL-THA-2d450e86-18
0.685
ALP-POS-3b848b35-1
0.685
MAT-POS-3b92565d-2
0.685
RAL-THA-1d44ff04-4
0.685
PET-UNK-bb7ffe78-2
0.684
RAL-THA-1d44ff04-3
0.680
PET-UNK-8c422e11-1
0.680
RAL-THA-2d450e86-30
0.676
RAL-THA-2d450e86-35
0.676
RAL-THA-2d450e86-17
0.676
PET-UNK-bb7ffe78-3
0.676
MAT-POS-cc05818f-1
0.676
MIC-UNK-16ccb665-1
0.671
PET-UNK-8c422e11-3
0.671
PET-UNK-8c422e11-4
0.667
RAL-THA-1d44ff04-10
0.667
RAL-THA-1d44ff04-13
0.667
PET-UNK-8c422e11-2
0.662
MIC-UNK-08fa0751-2
0.662
RAL-THA-2d450e86-2
0.662
RAL-THA-1d44ff04-5
0.658
VLA-UNK-9a7dc93f-1
0.658
RAL-THA-2d450e86-10
0.657
ADA-UCB-6c2cb422-1
0.657
PET-UNK-1e7f2e90-1
0.649
MIC-UNK-644c43c7-4
0.646
RAL-THA-2d450e86-9
0.644
RAL-THA-2d450e86-6
0.644
RAL-THA-1d44ff04-6
0.641
RAL-THA-1d44ff04-11
0.641
RAL-THA-1d44ff04-9
0.641
MAT-POS-281d2ee9-1
0.641
RAL-THA-2d450e86-7
0.638
MIC-UNK-644c43c7-3
0.637
MIC-UNK-644c43c7-1
0.634
DAR-DIA-0587064e-4
0.625
DAR-DIA-0587064e-2
0.625
PET-UNK-c5865d42-1
0.625
RAL-THA-1d44ff04-7
0.625
DAR-DIA-0587064e-8
0.624
PET-UNK-b87f07d0-1
0.622
MAT-POS-281d2ee9-2
0.617
MAT-POS-9ff17035-3
0.617
RAL-THA-1d44ff04-8
0.617
LON-WEI-9739a092-4
0.616
DAR-DIA-0587064e-1
0.614
MAT-POS-23a8a11a-1
0.611
NAU-LAT-2fed8305-9
0.611
DAR-DIA-0587064e-3
0.610
DAR-DIA-0587064e-5
0.610
EDJ-MED-50011917-1
0.610
MAT-POS-281d2ee9-3
0.610
RAL-THA-2d450e86-25
0.608
PET-UNK-dd44aeb6-1
0.608
VLA-UNK-b9c208fe-1
0.608
NAU-LAT-0543f7f2-9
0.607
MIC-UNK-644c43c7-2
0.607
RAL-THA-2d450e86-1
0.603
DAR-DIA-0587064e-7
0.602
PET-UNK-372a2f82-1
0.602
PET-UNK-b87f07d0-2
0.602
PET-UNK-c5865d42-2
0.600
PET-UNK-cf04cb02-1
0.595
RAL-THA-2d450e86-26
0.595
LON-WEI-9739a092-9
0.593
MAT-POS-9ff17035-2
0.593
PET-UNK-b87f07d0-3
0.593
RAL-THA-2d450e86-37
0.592
LON-WEI-9739a092-7
0.588
LON-WEI-9739a092-8
0.586
ALP-POS-fab80cf2-1
0.586
VLA-UNK-9a7dc93f-2
0.582
DAR-DIA-0587064e-6
0.581
MAT-POS-3b92565d-3
0.581
EDJ-MED-7320d5d2-1
0.581
ALP-POS-3b848b35-2
0.581
MAT-POS-9ff17035-1
0.580
RAL-THA-1d44ff04-12
0.580
RAL-THA-2d450e86-8
0.579
RAL-THA-2d450e86-3
0.577
NAU-LAT-2fed8305-5
0.573
LON-WEI-9739a092-2
0.573
RAL-THA-2d450e86-29
0.570
MAT-POS-3b92565d-1
0.570
MAT-POS-bbbbc21a-1
0.570
RAL-THA-2d450e86-36
0.569
RAL-THA-1d44ff04-2
0.568
RAL-THA-1d44ff04-1
0.568
RAL-THA-2d450e86-33
0.568
RAL-THA-2d450e86-32
0.568
RAL-THA-2d450e86-24
0.566
RAL-THA-2d450e86-27
0.566
ALP-POS-f13221e1-3
0.566