Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@H]1CN(S(=O)(=O)CC2CS(=O)(=O)C2)Cc2ccc(Cl)cc21 |
MW: | 519.07 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 113.51 |
cLogP: | 2.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0772473247171347 |
Order Status | |
Ordered: | 2021-09-08 |
Synthesis Location: | enamine |
Shipped: | 2021-10-20 |
Oxetanes, thietanes
Hetero_hetero
EDJ-MED-4fff0a85-4
1.000
MAT-POS-bf364d7a-4
1.000
EDJ-MED-76744c27-3
0.859
MAT-POS-4223bc15-14
0.823
ANN-CHE-e1757302-5
0.814
BRU-THA-d60fe444-1
0.787
MAT-POS-4223bc15-6
0.785
EDJ-MED-4fff0a85-1
0.782
MAT-POS-5cd9ea36-11
0.768
MAT-POS-5cd9ea36-24
0.763
MAT-POS-4223bc15-5
0.753
MAT-POS-5cd9ea36-12
0.752
EDJ-MED-28cccd0c-4
0.745
MAT-POS-dc2604c4-4
0.740
EDJ-MED-76744c27-6
0.740
MAT-POS-bf364d7a-2
0.738
EDJ-MED-4fff0a85-3
0.738
MAT-POS-bf364d7a-1
0.738
PET-UNK-af70882d-3
0.737
PET-UNK-af70882d-4
0.737
EDJ-MED-7f6e5b75-1
0.737
EDJ-MED-76744c27-5
0.737
PET-UNK-af70882d-2
0.730
PET-UNK-615ad708-2
0.730
PET-UNK-615ad708-5
0.730
PET-UNK-ff046148-1
0.730
MAT-POS-c88128cb-2
0.726
PET-UNK-af70882d-1
0.725
MAT-POS-bf364d7a-5
0.725
EDJ-MED-76744c27-1
0.725
MAT-POS-5cd9ea36-1
0.725
MAT-POS-e194df51-1
0.725
MAT-POS-e194df51-2
0.725
JOH-SUS-07b743f6-6
0.725
MAT-POS-bf364d7a-6
0.725
PET-UNK-94036022-1
0.725
XIA-UNK-284f966f-1
0.725
PET-UNK-94036022-8
0.725
MAT-POS-dc2604c4-1
0.725
PET-UNK-de87a406-1
0.723
ANN-CHE-e1757302-4
0.718
XIA-UNK-c8ef6831-1
0.718
MAT-POS-24589f88-2
0.716
MAT-POS-24589f88-3
0.716
MAT-POS-dd3ad2b5-4
0.716
MAT-POS-4223bc15-4
0.716
MAT-POS-dd1fff26-2
0.716
ALF-EVA-0e90125c-4
0.716
EDJ-MED-4fff0a85-2
0.716
MAT-POS-5cd9ea36-9
0.716
MAT-POS-5cd9ea36-10
0.716
MAT-POS-dd1fff26-1
0.716
ANN-CHE-e1757302-1
0.716
ANN-CHE-e1757302-2
0.716
MAT-POS-bf364d7a-12
0.713
MAT-POS-5cd9ea36-7
0.713
MAT-POS-bf364d7a-11
0.713
JOH-SUS-07b743f6-3
0.712
ANN-CHE-e1757302-3
0.709
ALP-POS-07e1ed01-2
0.708
MAT-POS-4223bc15-12
0.705
JOH-SUS-07b743f6-1
0.705
ALP-POS-395d3f9b-1
0.702
EDJ-MED-76744c27-2
0.702
EDJ-MED-76744c27-7
0.702
ALP-POS-07e1ed01-1
0.698
MAT-POS-dc2604c4-3
0.698
MAT-POS-777f5926-4
0.698
MAT-POS-5cd9ea36-8
0.698
JOH-SUS-07b743f6-2
0.698
MAT-POS-777f5926-3
0.698
MAT-POS-bf364d7a-7
0.695
MAT-POS-bf364d7a-8
0.695
ALF-EVA-07677224-7
0.695
EDJ-MED-76744c27-4
0.695
ALF-EVA-07677224-9
0.695
MAT-POS-4223bc15-1
0.694
MAT-POS-4223bc15-3
0.694
MAT-POS-5cd9ea36-5
0.692
MAT-POS-4223bc15-2
0.687
PET-UNK-d61f3ea6-2
0.687
MAT-POS-5cd9ea36-17
0.683
MAT-POS-dc2604c4-2
0.682
ALF-EVA-0e90125c-6
0.682
MAT-POS-4223bc15-13
0.680
BRU-THA-98e973b9-1
0.680
PET-UNK-d61f3ea6-3
0.680
ALF-EVA-0e90125c-7
0.676
EDJ-MED-1981ceba-2
0.673
BEN-DND-32596b04-7
0.673
MAT-POS-5cd9ea36-6
0.673
MAT-POS-bf364d7a-9
0.673
MAT-POS-bf364d7a-10
0.673
MAT-POS-4223bc15-7
0.667
MAT-POS-4223bc15-15
0.667
MAT-POS-5cd9ea36-2
0.667
EDJ-MED-1981ceba-4
0.663
ALF-EVA-07677224-3
0.663
MAT-POS-5cd9ea36-16
0.663
MAT-POS-5cd9ea36-23
0.660