Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnccc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 339.08 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.09876271931265 |
Order Status | |
Ordered: | 2020-11-07 |
Synthesis Location: | moonshot |
Shipped: | 2020-12-02 |
MAT-POS-b3e365b9-1
VLA-UNK-56836b69-5
VLA-UNK-56836b69-1
VLA-UNK-56836b69-4
VLA-UNK-56836b69-6
VLA-UNK-56836b69-3
VLA-UNK-56836b69-2
VLA-UNK-82501c2c-1
VLA-UNK-82501c2c-2
VLA-UNK-82501c2c-3
PET-UNK-f4e47ebd-31
PET-UNK-f4e47ebd-30
PET-UNK-f4e47ebd-29
PET-UNK-f4e47ebd-28
PET-UNK-f4e47ebd-25
PET-UNK-f4e47ebd-24
PET-UNK-f4e47ebd-23
PET-UNK-f4e47ebd-21
PET-UNK-f4e47ebd-16
PET-UNK-f4e47ebd-15
PET-UNK-f4e47ebd-12
PET-UNK-f4e47ebd-7
PET-UNK-f4e47ebd-6
PET-UNK-f4e47ebd-2
PET-UNK-f4e47ebd-17
PET-UNK-f4e47ebd-27
PET-UNK-f4e47ebd-18
PET-UNK-f4e47ebd-13
PET-UNK-f4e47ebd-11
PET-UNK-f4e47ebd-9
PET-UNK-f4e47ebd-1
PET-UNK-f4e47ebd-19
PET-UNK-f4e47ebd-10
PET-UNK-f4e47ebd-8
PET-UNK-f4e47ebd-4
PET-UNK-f4e47ebd-26
PET-UNK-f4e47ebd-20
PET-UNK-f4e47ebd-14
PET-UNK-f4e47ebd-22
PET-UNK-f4e47ebd-5
PET-UNK-f4e47ebd-3
BEN-DND-4f474d93-1
1.000
BEN-DND-4f474d93-3
1.000
ALP-POS-ce760d3f-3
0.741
BEN-DND-4f474d93-2
0.741
MAT-POS-b3e365b9-2
0.728
MAT-POS-b3e365b9-1
0.728
MAT-POS-f7918075-1
0.728
VLA-UCB-1dbca3b4-15
0.728
VLA-UNK-56836b69-4
0.716
MAK-UNK-8be7dca9-9
0.702
PET-UNK-03fd2068-1
0.702
PET-UNK-f4e47ebd-6
0.702
ALF-EVA-5b152d2f-5
0.690
ALP-POS-82da25a3-1
0.686
ALF-EVA-5b152d2f-2
0.682
ALP-POS-ce760d3f-7
0.679
EDG-MED-5d232de5-2
0.679
ALP-POS-696356e4-1
0.679
EDG-MED-5d232de5-1
0.679
EDJ-MED-ba7e64f2-1
0.679
BEN-DND-c852c98b-4
0.679
ERI-UCB-8d4e5055-3
0.678
PET-UNK-6314f867-1
0.678
MAK-UNK-8be7dca9-5
0.678
MAT-POS-7ddaf7de-2
0.678
PET-UNK-ee8352fa-6
0.670
BEN-DND-c852c98b-3
0.667
MAT-POS-f9802937-7
0.667
TET-ENA-382364b7-1
0.663
MAK-UNK-8be7dca9-2
0.663
PET-UNK-f4e47ebd-3
0.663
ALF-EVA-5b152d2f-8
0.663
MAK-UNK-8be7dca9-7
0.655
WIL-UCB-7ba4ac3a-1
0.655
PET-UNK-7f7e354d-1
0.651
MAT-POS-1ecf5680-2
0.648
JAG-UCB-571deb56-5
0.648
MAT-POS-1ecf5680-1
0.648
ERI-UCB-8d4e5055-4
0.648
ALP-POS-82da25a3-2
0.648
BEN-DND-c852c98b-5
0.648
MAT-POS-8293a91a-3
0.648
PET-UNK-ee8352fa-4
0.648
PET-UNK-b1ef24dc-8
0.647
PET-UNK-b1ef24dc-7
0.647
DAR-DIA-6a508060-6
0.646
MAT-POS-b3e365b9-4
0.646
MAT-POS-b3e365b9-3
0.646
BRU-CON-c4e3408a-1
0.646
JAN-GHE-f4ca5a00-13
0.646
BEN-DND-c852c98b-6
0.644
ADA-UCB-dc2b944c-8
0.644
JAG-UCB-571deb56-2
0.641
RUB-POS-1325a9ea-10
0.640
BEN-DND-c852c98b-1
0.640
BEN-DND-c852c98b-7
0.640
PET-UNK-b38839dc-3
0.640
RAL-THA-b9d6aec1-1
0.637
BEN-DND-c852c98b-2
0.637
ALF-EVA-5b152d2f-7
0.633
RAL-THA-b9d6aec1-3
0.633
MAK-UNK-8be7dca9-8
0.633
PET-UNK-ee8352fa-5
0.633
MAT-POS-14f31916-5
0.632
MAK-UNK-f481d203-2
0.631
EDJ-MED-e9694d2b-1
0.631
MAK-UNK-919546f0-1
0.631
MAK-UNK-f481d203-1
0.631
LON-WEI-0a73fcb8-7
0.631
ERI-UCB-9c7ec71b-2
0.631
MIC-UNK-7574fcc6-2
0.628
JAG-UCB-571deb56-4
0.628
NAU-LAT-b7d8c353-6
0.626
PET-UNK-f4e47ebd-4
0.626
PET-UNK-b38839dc-5
0.626
ALF-EVA-ced740bd-1
0.622
RAL-THA-b9d6aec1-2
0.620
PET-UNK-b38839dc-4
0.620
MAT-POS-7ddaf7de-4
0.619
MAT-POS-d8472c4f-6
0.618
MAT-POS-14f31916-1
0.618
NAU-LAT-b7d8c353-8
0.615
MAK-UNK-8be7dca9-6
0.615
JAG-UCB-571deb56-1
0.615
MAT-POS-acfe5bae-5
0.611
MAT-POS-14f31916-2
0.611
MAT-POS-8040981b-1
0.611
NAU-LAT-b7d8c353-5
0.611
PET-UNK-b1ef24dc-5
0.609
JAG-UCB-571deb56-6
0.608
MAT-POS-419aafdb-2
0.606
MAT-POS-a2421bb6-3
0.604
PET-UNK-2c6614b6-9
0.602
JAG-UCB-571deb56-3
0.600
MAT-POS-7ddaf7de-1
0.600
MAT-POS-419aafdb-1
0.600
MAT-POS-afb6844f-1
0.600
BEN-DND-a7517465-1
0.600
MAT-POS-ee5e8e94-2
0.598
MAT-POS-acfe5bae-1
0.598