Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(C(F)(F)F)cc12)C1CCOc2ccc(Cl)cc21 |
MW: | 406.07 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 5.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-05-26 |
high halogen content (>3)
BEN-DND-c852c98b-3
0.807
ALP-POS-ce760d3f-7
0.759
EDG-MED-5d232de5-2
0.759
ALP-POS-696356e4-1
0.759
EDG-MED-5d232de5-1
0.759
BEN-DND-c852c98b-4
0.738
EDJ-MED-ba7e64f2-1
0.738
BEN-DND-c852c98b-7
0.736
MAK-UNK-8be7dca9-7
0.733
BEN-DND-c852c98b-2
0.730
ALF-EVA-5b152d2f-2
0.721
ALP-POS-82da25a3-2
0.705
ERI-UCB-8d4e5055-4
0.705
MAT-POS-f9802937-7
0.705
PET-UNK-ee8352fa-4
0.705
BEN-DND-c852c98b-5
0.705
BEN-DND-c852c98b-6
0.700
BEN-DND-c852c98b-1
0.697
ALF-EVA-5b152d2f-7
0.689
RAL-THA-b9d6aec1-3
0.689
MAK-UNK-8be7dca9-8
0.689
VLA-UCB-1dbca3b4-15
0.686
MAT-POS-b3e365b9-2
0.686
MAT-POS-f7918075-1
0.686
MAT-POS-b3e365b9-1
0.686
BEN-DND-4f474d93-2
0.678
ALP-POS-ce760d3f-3
0.678
RAL-THA-b9d6aec1-2
0.674
RAL-THA-b9d6aec1-1
0.674
MAT-POS-419aafdb-2
0.660
WIL-UCB-7ba4ac3a-1
0.656
MAT-POS-419aafdb-1
0.653
PET-UNK-ee8352fa-5
0.652
BEN-DND-4f474d93-3
0.648
ALP-POS-ce760d3f-2
0.648
ALF-EVA-5b152d2f-3
0.648
BEN-DND-4f474d93-1
0.648
PET-UNK-03fd2068-1
0.644
MAK-UNK-8be7dca9-9
0.644
RUB-POS-1325a9ea-10
0.641
MAK-UNK-8be7dca9-4
0.639
PET-UNK-b38839dc-4
0.638
RAL-THA-05e671eb-6
0.637
PET-UNK-ee8352fa-6
0.634
MIC-UNK-7574fcc6-2
0.629
PET-UNK-b1ef24dc-8
0.629
PET-UNK-b38839dc-5
0.628
PET-UNK-f4e47ebd-3
0.628
ERI-UCB-8d4e5055-2
0.614
MAT-POS-8695a11f-2
0.614
ALP-POS-82da25a3-1
0.613
PET-UNK-b1ef24dc-7
0.611
ALF-EVA-5b152d2f-8
0.611
MAT-POS-7ddaf7de-2
0.606
MAK-UNK-8be7dca9-5
0.606
ERI-UCB-8d4e5055-3
0.606
PET-UNK-6314f867-1
0.606
PET-UNK-b38839dc-3
0.604
ALF-EVA-5b152d2f-5
0.600
PET-UNK-7f7e354d-1
0.598
MAT-POS-14f31916-5
0.598
MAT-POS-86c60949-3
0.596
ERI-UCB-8d4e5055-5
0.596
MAK-UNK-8be7dca9-2
0.594
PET-UNK-f4e47ebd-4
0.594
TET-ENA-382364b7-1
0.594
JOH-SUS-a69c159d-4
0.591
ADA-UCB-dc2b944c-8
0.591
MAT-POS-d8472c4f-6
0.585
PET-UNK-e274cad4-2
0.585
MAT-POS-14f31916-1
0.585
JAG-UCB-571deb56-5
0.582
MAT-POS-1ecf5680-1
0.582
MAT-POS-1ecf5680-2
0.582
PET-UNK-b1ef24dc-6
0.581
BEN-DND-a7517465-5
0.581
PET-UNK-e274cad4-7
0.581
MAT-POS-14f31916-2
0.579
MAT-POS-acfe5bae-5
0.579
MAT-POS-8040981b-1
0.579
ROB-UNI-6ee2df8c-1
0.576
PET-UNK-b1ef24dc-5
0.576
JAG-UCB-571deb56-2
0.576
ALF-EVA-5b152d2f-1
0.574
ALF-EVA-ced740bd-1
0.573
MAT-POS-a2421bb6-3
0.573
MAT-POS-acfe5bae-1
0.567
NAU-LAT-b7d8c353-8
0.567
MAK-UNK-8be7dca9-6
0.567
MAT-POS-ee5e8e94-2
0.567
MAT-POS-afb6844f-1
0.567
MAT-POS-7ddaf7de-4
0.567
JAG-UCB-571deb56-4
0.564
BEN-DND-a7517465-3
0.564
BEN-DND-a7517465-2
0.564
TET-ENA-1a76f195-1
0.561
MAT-POS-14f31916-3
0.561
MAT-POS-ee5e8e94-1
0.561
MAT-POS-a2421bb6-1
0.559
EDJ-MED-611d11e7-6
0.558