Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@@H](C(=O)Nc3cncc4ccccc34)C2)CNC1 |
MW: | 495.11 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 115.19 |
cLogP: | 2.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.61771676987511 |
Order Status | |
Shipped: | 2021-10-28 |
Hetero_hetero
MAT-POS-dc2604c4-3
1.000
MAT-POS-777f5926-3
1.000
MAT-POS-777f5926-4
1.000
MAT-POS-dc2604c4-1
0.875
MAT-POS-e194df51-1
0.875
MAT-POS-e194df51-2
0.875
JOH-SUS-07b743f6-3
0.857
MAT-POS-4223bc15-12
0.848
ALP-POS-07e1ed01-2
0.832
MAT-POS-5cd9ea36-5
0.832
MAT-POS-5cd9ea36-6
0.808
MAT-POS-bf364d7a-9
0.808
MAT-POS-bf364d7a-10
0.808
ALF-EVA-07677224-9
0.802
MAT-POS-bf364d7a-11
0.800
MAT-POS-bf364d7a-12
0.800
PET-UNK-94036022-1
0.800
XIA-UNK-284f966f-1
0.800
PET-UNK-94036022-8
0.800
MAT-POS-5cd9ea36-7
0.800
JOH-SUS-07b743f6-6
0.800
PET-UNK-615ad708-5
0.788
PET-UNK-ff046148-1
0.788
PET-UNK-615ad708-2
0.788
JOH-SUS-07b743f6-1
0.777
JOH-SUS-07b743f6-2
0.769
MAT-POS-dd1fff26-2
0.755
MAT-POS-5cd9ea36-9
0.755
MAT-POS-5cd9ea36-10
0.755
MAT-POS-dd1fff26-1
0.755
MAT-POS-4223bc15-6
0.753
MAT-POS-5cd9ea36-8
0.752
MAT-POS-5cd9ea36-24
0.750
ALP-POS-395d3f9b-1
0.740
XIA-UNK-c8ef6831-1
0.740
BRU-THA-d60fe444-1
0.737
MAT-POS-dc2604c4-2
0.736
MAT-POS-bf364d7a-7
0.733
MAT-POS-bf364d7a-8
0.733
ALF-EVA-07677224-7
0.733
EDJ-MED-76744c27-4
0.733
EDJ-MED-76744c27-6
0.728
MAT-POS-dc2604c4-4
0.728
MAT-POS-bf364d7a-1
0.726
MAT-POS-bf364d7a-2
0.726
EDJ-MED-4fff0a85-3
0.726
PET-UNK-af70882d-4
0.725
MAT-POS-4223bc15-5
0.723
MAT-POS-4223bc15-14
0.721
PET-UNK-af70882d-2
0.718
EDJ-MED-76744c27-3
0.716
MAT-POS-bf364d7a-6
0.714
PET-UNK-af70882d-1
0.714
MAT-POS-bf364d7a-5
0.714
EDJ-MED-76744c27-1
0.714
MAT-POS-5cd9ea36-1
0.714
EDJ-MED-76744c27-5
0.709
PET-UNK-af70882d-3
0.709
EDJ-MED-7f6e5b75-1
0.709
EDJ-MED-4fff0a85-2
0.705
MAT-POS-5cd9ea36-11
0.705
EDJ-MED-7889e8da-4
0.702
EDJ-MED-be9e6f63-4
0.702
MAT-POS-bf364d7a-3
0.698
ANN-CHE-e1757302-3
0.698
EDJ-MED-4fff0a85-4
0.698
MAT-POS-bf364d7a-4
0.698
BRU-THA-4b053743-1
0.695
PET-UNK-de87a406-1
0.695
ALP-POS-c56c1477-1
0.695
ANN-CHE-e1757302-4
0.692
MAT-POS-5cd9ea36-12
0.692
ANN-CHE-e1757302-1
0.689
ANN-CHE-e1757302-2
0.689
MAT-POS-4223bc15-4
0.689
ALF-EVA-0e90125c-4
0.689
MAT-POS-24589f88-2
0.687
MAT-POS-24589f88-3
0.687
MAT-POS-dd3ad2b5-4
0.687
PET-UNK-d61f3ea6-3
0.686
MAT-POS-81ae2990-9
0.685
MAT-POS-b4d6b7fc-9
0.685
ANN-CHE-e1757302-5
0.682
EDJ-MED-be9e6f63-2
0.679
EDJ-MED-7889e8da-2
0.679
PET-UNK-d61f3ea6-2
0.676
EDJ-MED-76744c27-2
0.676
EDJ-MED-76744c27-7
0.676
MAT-POS-4223bc15-15
0.673
JOH-SUS-07b743f6-7
0.673
ALF-EVA-07677224-3
0.670
PET-UNK-2337ec19-1
0.670
PET-UNK-2337ec19-3
0.670
DAR-DIA-5e50e037-1
0.667
MAT-POS-4223bc15-1
0.667
MAT-POS-4223bc15-3
0.667
ALF-EVA-0e90125c-7
0.667
EDJ-MED-1981ceba-2
0.663
BEN-DND-32596b04-7
0.663
MAT-POS-c7726e07-7
0.661