Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CN(S(=O)(=O)CC2(F)CC2)Cc2ccc(Cl)cc21 |
MW: | 473.1 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.176279162147659 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-08-11 |
Hetero_hetero
PET-UNK-de87a406-1
MAT-POS-5cd9ea36-10
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MAT-POS-dd1fff26-1
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MAT-POS-dd1fff26-2
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PET-UNK-615ad708-2
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PET-UNK-ff046148-1
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PET-UNK-615ad708-5
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BRU-THA-d60fe444-1
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ALP-POS-395d3f9b-1
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XIA-UNK-c8ef6831-1
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MAT-POS-dc2604c4-1
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PET-UNK-94036022-8
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MAT-POS-e194df51-1
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MAT-POS-e194df51-2
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PET-UNK-94036022-1
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XIA-UNK-284f966f-1
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JOH-SUS-07b743f6-1
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MAT-POS-4223bc15-6
0.793
EDJ-MED-76744c27-4
0.788
ALF-EVA-07677224-7
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ALF-EVA-07677224-9
0.788
MAT-POS-bf364d7a-7
0.788
MAT-POS-bf364d7a-8
0.788
JOH-SUS-07b743f6-6
0.786
EDJ-MED-4fff0a85-3
0.780
MAT-POS-4223bc15-12
0.780
MAT-POS-bf364d7a-1
0.780
MAT-POS-bf364d7a-2
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MAT-POS-5cd9ea36-11
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MAT-POS-5cd9ea36-8
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MAT-POS-dc2604c4-2
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JOH-SUS-07b743f6-2
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JOH-SUS-07b743f6-3
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MAT-POS-5cd9ea36-5
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PET-UNK-af70882d-4
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EDJ-MED-76744c27-5
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MAT-POS-4223bc15-5
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MAT-POS-5cd9ea36-6
0.760
MAT-POS-bf364d7a-9
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MAT-POS-bf364d7a-10
0.760
ALP-POS-07e1ed01-1
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MAT-POS-dc2604c4-3
0.755
MAT-POS-777f5926-3
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MAT-POS-777f5926-4
0.755
MAT-POS-5cd9ea36-24
0.753
EDJ-MED-76744c27-3
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ALP-POS-07e1ed01-2
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PET-UNK-de87a406-1
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PET-UNK-af70882d-3
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EDJ-MED-7f6e5b75-1
0.745
MAT-POS-5cd9ea36-12
0.743
ANN-CHE-e1757302-1
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PET-UNK-af70882d-2
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MAT-POS-bf364d7a-11
0.736
MAT-POS-5cd9ea36-7
0.736
MAT-POS-bf364d7a-12
0.736
ANN-CHE-e1757302-3
0.733
EDJ-MED-76744c27-6
0.730
MAT-POS-dc2604c4-4
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MAT-POS-dd3ad2b5-4
0.723
MAT-POS-24589f88-2
0.723
MAT-POS-24589f88-3
0.723
MAT-POS-4223bc15-4
0.723
MAT-POS-4223bc15-14
0.723
ALF-EVA-0e90125c-4
0.723
EDJ-MED-4fff0a85-2
0.723
ANN-CHE-e1757302-2
0.723
MAT-POS-4223bc15-3
0.719
EDJ-MED-4fff0a85-4
0.716
MAT-POS-5cd9ea36-1
0.716
PET-UNK-af70882d-1
0.716
MAT-POS-bf364d7a-5
0.716
EDJ-MED-76744c27-1
0.716
MAT-POS-bf364d7a-3
0.716
MAT-POS-bf364d7a-4
0.716
MAT-POS-bf364d7a-6
0.716
ANN-CHE-e1757302-5
0.716
EDJ-MED-76744c27-2
0.709
EDJ-MED-76744c27-7
0.709
ANN-CHE-e1757302-4
0.709
EDJ-MED-4fff0a85-1
0.705
BRU-THA-98e973b9-1
0.704
MAT-POS-4223bc15-1
0.701
BEN-DND-32596b04-7
0.697
MAT-POS-4223bc15-2
0.694
PET-UNK-d61f3ea6-2
0.694
MAT-POS-5cd9ea36-17
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JOH-SUS-07b743f6-7
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ALF-EVA-0e90125c-6
0.689
MAT-POS-4223bc15-13
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PET-UNK-d61f3ea6-4
0.686
ALF-EVA-0e90125c-7
0.682
EDJ-MED-1981ceba-2
0.680
MAT-POS-5cd9ea36-2
0.673
MAT-POS-4223bc15-7
0.673
MAT-POS-4223bc15-15
0.673
ALF-EVA-07677224-3
0.670
PET-UNK-d61f3ea6-3
0.670
MAT-POS-5cd9ea36-16
0.670
DAR-DIA-5e50e037-1
0.667
PET-UNK-d61f3ea6-1
0.667