Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CCOCC1 |
| MW: | 524.13 |
| Fraction sp3: | 0.35 |
| HBA: | 6 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 112.39 |
| cLogP: | 4.08 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.0737019746237822 |
| Order Status | |
| Ordered: | 2021-09-08 |
| Synthesis Location: | enamine |
| Shipped: | 2021-10-20 |
Hetero_hetero
MAT-POS-5cd9ea36-6
1.000
MAT-POS-bf364d7a-10
1.000
MAT-POS-dc2604c4-1
0.897
MAT-POS-e194df51-1
0.897
MAT-POS-e194df51-2
0.897
MAT-POS-4223bc15-12
0.870
JOH-SUS-07b743f6-3
0.860
MAT-POS-5cd9ea36-5
0.853
MAT-POS-bf364d7a-11
0.821
MAT-POS-5cd9ea36-7
0.821
MAT-POS-bf364d7a-12
0.821
ALP-POS-07e1ed01-2
0.817
MAT-POS-777f5926-4
0.808
MAT-POS-dc2604c4-3
0.808
MAT-POS-777f5926-3
0.808
ALP-POS-07e1ed01-1
0.808
XIA-UNK-284f966f-1
0.786
JOH-SUS-07b743f6-6
0.786
PET-UNK-94036022-1
0.786
PET-UNK-94036022-8
0.786
MAT-POS-5cd9ea36-9
0.760
PET-UNK-615ad708-5
0.757
PET-UNK-ff046148-1
0.757
PET-UNK-615ad708-2
0.757
JOH-SUS-07b743f6-2
0.757
JOH-SUS-07b743f6-1
0.748
MAT-POS-5cd9ea36-10
0.743
MAT-POS-dd1fff26-1
0.743
MAT-POS-dd1fff26-2
0.743
MAT-POS-5cd9ea36-8
0.741
EDJ-MED-7889e8da-4
0.740
EDJ-MED-be9e6f63-4
0.740
MAT-POS-5cd9ea36-24
0.738
XIA-UNK-c8ef6831-1
0.729
ALP-POS-395d3f9b-1
0.729
MAT-POS-dc2604c4-2
0.725
MAT-POS-4223bc15-6
0.723
MAT-POS-bf364d7a-8
0.722
EDJ-MED-76744c27-4
0.722
ALF-EVA-07677224-7
0.722
MAT-POS-bf364d7a-7
0.722
ALP-POS-c56c1477-1
0.717
BRU-THA-4b053743-1
0.717
EDJ-MED-be9e6f63-2
0.716
EDJ-MED-7889e8da-2
0.716
EDJ-MED-4fff0a85-3
0.716
MAT-POS-bf364d7a-1
0.716
MAT-POS-bf364d7a-2
0.716
BRU-THA-d60fe444-1
0.709
ALF-EVA-07677224-9
0.706
MAT-POS-81ae2990-9
0.706
MAT-POS-b4d6b7fc-9
0.706
EDJ-MED-378a25ea-11
0.703
EDJ-MED-76744c27-6
0.701
MAT-POS-dc2604c4-4
0.701
PET-UNK-af70882d-3
0.698
PET-UNK-af70882d-4
0.698
ANN-CHE-e1757302-4
0.697
ALP-POS-6f6ae286-4
0.696
EDJ-MED-378a25ea-25
0.696
MAT-POS-c7726e07-8
0.696
MAT-POS-c7726e07-7
0.696
EDJ-MED-be9e6f63-3
0.696
MAT-POS-4223bc15-5
0.695
EDJ-MED-4fff0a85-1
0.694
EDJ-MED-378a25ea-9
0.694
EDJ-MED-7889e8da-6
0.694
PET-UNK-af70882d-2
0.692
EDJ-MED-76744c27-3
0.689
PET-UNK-af70882d-1
0.688
MAT-POS-bf364d7a-6
0.688
MAT-POS-bf364d7a-5
0.688
EDJ-MED-76744c27-1
0.688
MAT-POS-5cd9ea36-1
0.688
MAT-POS-22373164-4
0.687
EDJ-MED-1981ceba-1
0.685
MAT-POS-22373164-2
0.684
EDJ-MED-76744c27-5
0.682
EDJ-MED-7f6e5b75-1
0.682
MAT-POS-5cd9ea36-12
0.682
EDJ-MED-be9e6f63-1
0.681
MAT-POS-4223bc15-4
0.679
EDJ-MED-4fff0a85-2
0.679
MAT-POS-5cd9ea36-11
0.679
ALF-EVA-0e90125c-4
0.679
EDJ-MED-378a25ea-12
0.679
PET-UNK-d61f3ea6-3
0.676
EDJ-MED-378a25ea-1
0.675
EDJ-MED-378a25ea-18
0.675
EDJ-MED-378a25ea-21
0.675
EDJ-MED-4fff0a85-4
0.673
MAT-POS-bf364d7a-3
0.673
MAT-POS-bf364d7a-4
0.673
EDJ-MED-378a25ea-10
0.673
MAT-POS-22373164-3
0.672
PET-UNK-de87a406-1
0.670
EDJ-MED-4f4dd660-2
0.670
MAT-POS-22373164-1
0.670
EDJ-MED-378a25ea-23
0.670
EDJ-MED-378a25ea-7
0.670