Molecular Properties | |
SMILES: | CC(C)(C#N)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 482.12 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.136008920566333 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-08-11 |
Hetero_hetero
MAT-POS-bf364d7a-5
1.000
EDJ-MED-76744c27-1
1.000
MAT-POS-5cd9ea36-1
1.000
MAT-POS-bf364d7a-6
1.000
EDJ-MED-7f6e5b75-1
0.849
PET-UNK-de87a406-1
0.832
EDJ-MED-4fff0a85-2
0.823
EDJ-MED-76744c27-2
0.806
EDJ-MED-76744c27-7
0.806
MAT-POS-4223bc15-6
0.804
MAT-POS-5cd9ea36-24
0.800
EDJ-MED-76744c27-5
0.773
PET-UNK-af70882d-3
0.773
PET-UNK-ff046148-3
0.772
BRU-THA-d60fe444-1
0.768
MAT-POS-dc2604c4-4
0.758
EDJ-MED-76744c27-6
0.758
PET-UNK-af70882d-4
0.755
MAT-POS-4223bc15-5
0.753
PET-UNK-d61f3ea6-3
0.747
EDJ-MED-76744c27-3
0.745
MAT-POS-dc2604c4-1
0.743
MAT-POS-e194df51-1
0.743
MAT-POS-e194df51-2
0.743
JOH-SUS-07b743f6-6
0.743
PET-UNK-d61f3ea6-2
0.740
MAT-POS-dd3ad2b5-4
0.734
MAT-POS-24589f88-2
0.734
MAT-POS-24589f88-3
0.734
MAT-POS-4223bc15-4
0.733
MAT-POS-dd1fff26-2
0.733
ALF-EVA-0e90125c-4
0.733
MAT-POS-5cd9ea36-10
0.733
MAT-POS-dd1fff26-1
0.733
ANN-CHE-e1757302-2
0.733
PET-UNK-af70882d-2
0.730
PET-UNK-615ad708-2
0.730
PET-UNK-615ad708-5
0.730
PET-UNK-ff046148-1
0.730
JOH-SUS-07b743f6-3
0.728
MAT-POS-bf364d7a-3
0.725
BEN-DND-32596b04-9
0.725
EDJ-MED-4fff0a85-4
0.725
MAT-POS-bf364d7a-4
0.725
ALP-POS-07e1ed01-2
0.724
MAT-POS-4223bc15-12
0.721
JOH-SUS-07b743f6-1
0.721
ALP-POS-395d3f9b-1
0.718
MAT-POS-4223bc15-14
0.716
MAT-POS-5cd9ea36-9
0.716
MAT-POS-5cd9ea36-11
0.716
ANN-CHE-e1757302-1
0.716
ALP-POS-07e1ed01-1
0.714
MAT-POS-dc2604c4-3
0.714
MAT-POS-777f5926-4
0.714
MAT-POS-5cd9ea36-8
0.714
JOH-SUS-07b743f6-2
0.714
MAT-POS-777f5926-3
0.714
ALF-EVA-07677224-3
0.713
MAT-POS-bf364d7a-7
0.712
MAT-POS-bf364d7a-8
0.712
ALF-EVA-07677224-7
0.712
EDJ-MED-76744c27-4
0.712
ALF-EVA-07677224-9
0.712
MAT-POS-4223bc15-1
0.711
PET-UNK-94036022-1
0.709
XIA-UNK-284f966f-1
0.709
PET-UNK-94036022-8
0.709
ANN-CHE-e1757302-5
0.709
ANN-CHE-e1757302-3
0.709
MAT-POS-5cd9ea36-5
0.708
MAT-POS-bf364d7a-2
0.705
EDJ-MED-4fff0a85-3
0.705
MAT-POS-bf364d7a-1
0.705
MAT-POS-4223bc15-2
0.704
MAT-POS-5cd9ea36-12
0.702
ANN-CHE-e1757302-4
0.702
XIA-UNK-c8ef6831-1
0.702
MAT-POS-5cd9ea36-17
0.700
BEN-DND-32596b04-5
0.699
MAT-POS-dc2604c4-2
0.698
MAT-POS-4223bc15-3
0.694
MAT-POS-5cd9ea36-4
0.693
ALF-EVA-0e90125c-7
0.692
MAT-POS-5cd9ea36-21
0.689
MAT-POS-5cd9ea36-6
0.688
MAT-POS-bf364d7a-9
0.688
MAT-POS-bf364d7a-10
0.688
MAT-POS-5cd9ea36-19
0.686
MAT-POS-5cd9ea36-18
0.686
MAT-POS-4223bc15-7
0.683
ALF-EVA-0e90125c-6
0.682
EDJ-MED-4fff0a85-1
0.682
MAT-POS-bf364d7a-11
0.682
MAT-POS-bf364d7a-12
0.682
MAT-POS-5cd9ea36-7
0.682
MAT-POS-4223bc15-13
0.680
BRU-THA-98e973b9-1
0.680
EDJ-MED-1981ceba-4
0.680
MAT-POS-5cd9ea36-16
0.680