Molecule Details
| Molecular Properties | |
| SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CS(=O)(=O)C1 |
| MW: | 533.08 |
| Fraction sp3: | 0.33 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 113.51 |
| cLogP: | 3.19 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.0269343853422923 |
| Order Status | |
| Ordered: | 2021-09-08 |
| Synthesis Location: | enamine |
| Shipped: | 2021-10-20 |
Oxetanes, thietanes
Hetero_hetero
EDJ-MED-4fff0a85-3
1.000
MAT-POS-bf364d7a-1
1.000
MAT-POS-dd1fff26-1
0.854
MAT-POS-dd1fff26-2
0.854
MAT-POS-5cd9ea36-10
0.854
ALF-EVA-07677224-9
0.828
MAT-POS-5cd9ea36-9
0.780
MAT-POS-4223bc15-6
0.779
EDJ-MED-ede277f6-10
0.779
PET-UNK-615ad708-5
0.778
PET-UNK-ff046148-1
0.778
PET-UNK-615ad708-2
0.778
EDJ-MED-ede277f6-12
0.762
ALF-EVA-07677224-7
0.757
EDJ-MED-76744c27-4
0.757
MAT-POS-bf364d7a-7
0.757
MAT-POS-bf364d7a-8
0.757
MAT-POS-e194df51-2
0.755
PET-UNK-94036022-1
0.755
XIA-UNK-284f966f-1
0.755
MAT-POS-dc2604c4-1
0.755
PET-UNK-94036022-8
0.755
MAT-POS-e194df51-1
0.755
JOH-SUS-07b743f6-6
0.755
EDJ-MED-28cccd0c-3
0.752
ALP-POS-07e1ed01-2
0.752
MAT-POS-78ab8081-3
0.750
PET-UNK-af70882d-4
0.750
EDJ-MED-76744c27-5
0.750
ALP-POS-395d3f9b-1
0.748
XIA-UNK-c8ef6831-1
0.748
BRU-THA-d60fe444-1
0.745
MAT-POS-dc2604c4-2
0.743
MAT-POS-666635d5-2
0.741
MAT-POS-83f73d0a-1
0.741
MAT-POS-78ab8081-5
0.741
MAT-POS-5cd9ea36-7
0.741
MAT-POS-bf364d7a-11
0.741
MAT-POS-bf364d7a-12
0.741
JOH-SUS-07b743f6-3
0.740
EDJ-MED-76744c27-3
0.740
MAT-POS-bf364d7a-4
0.738
EDJ-MED-4fff0a85-4
0.738
MAT-POS-bf364d7a-3
0.738
MAT-POS-4223bc15-12
0.733
JOH-SUS-07b743f6-1
0.733
PET-UNK-af70882d-3
0.733
EDJ-MED-7f6e5b75-1
0.733
MAT-POS-4223bc15-5
0.730
MAT-POS-dd3ad2b5-4
0.729
MAT-POS-24589f88-2
0.729
MAT-POS-24589f88-3
0.729
MAT-POS-777f5926-3
0.726
MAT-POS-777f5926-4
0.726
ALP-POS-07e1ed01-1
0.726
MAT-POS-dc2604c4-3
0.726
MAT-POS-5cd9ea36-8
0.726
JOH-SUS-07b743f6-2
0.726
MAT-POS-5cd9ea36-24
0.723
MAT-POS-5cd9ea36-5
0.720
PET-UNK-de87a406-1
0.718
MAT-POS-5cd9ea36-6
0.716
MAT-POS-bf364d7a-9
0.716
MAT-POS-bf364d7a-10
0.716
MAT-POS-4223bc15-4
0.712
ANN-CHE-e1757302-2
0.712
EDJ-MED-4fff0a85-2
0.712
MAT-POS-5cd9ea36-11
0.712
ALF-EVA-0e90125c-4
0.712
PET-UNK-af70882d-2
0.709
PET-UNK-af70882d-1
0.705
MAT-POS-bf364d7a-5
0.705
MAT-POS-5cd9ea36-1
0.705
EDJ-MED-76744c27-1
0.705
MAT-POS-bf364d7a-6
0.705
MAT-POS-dc2604c4-4
0.702
EDJ-MED-76744c27-6
0.702
EDJ-MED-76744c27-2
0.698
EDJ-MED-76744c27-7
0.698
MAT-POS-5cd9ea36-12
0.698
ANN-CHE-e1757302-1
0.695
MAT-POS-4223bc15-14
0.695
EDJ-MED-ede277f6-11
0.694
MAT-POS-4223bc15-1
0.690
ANN-CHE-e1757302-5
0.689
ANN-CHE-e1757302-3
0.689
MAT-POS-83f73d0a-2
0.684
MAT-POS-78ab8081-1
0.684
MAT-POS-4223bc15-2
0.683
PET-UNK-d61f3ea6-2
0.683
ANN-CHE-e1757302-4
0.682
MAT-POS-5cd9ea36-17
0.680
EDJ-MED-4fff0a85-1
0.679
MAT-POS-4223bc15-3
0.673
BEN-DND-32596b04-7
0.670
BEN-DND-32596b04-8
0.670
MAT-POS-81ae2990-3
0.667
ALF-EVA-0e90125c-6
0.664
PET-UNK-d61f3ea6-3
0.660
MAT-POS-5cd9ea36-16
0.660