Molecular Properties | |
SMILES: | CCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 458.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 82.61 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0905343124299543 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-08-11 |
Hetero_hetero
MAT-POS-4223bc15-2
0.843
MAT-POS-5cd9ea36-23
0.840
MAT-POS-5cd9ea36-21
0.833
MAT-POS-af1eef35-2
0.833
MAT-POS-51135489-1
0.833
EDJ-MED-e18764cb-3
0.833
MAT-POS-5cd9ea36-18
0.832
MAT-POS-5cd9ea36-22
0.825
BEN-DND-32596b04-4
0.814
MAT-POS-5cd9ea36-20
0.798
MAT-POS-5cd9ea36-19
0.798
MAT-POS-4223bc15-6
0.772
MAT-POS-dd3ad2b5-4
0.758
MAT-POS-24589f88-2
0.758
MAT-POS-24589f88-3
0.758
PET-UNK-af70882d-3
0.742
MAT-POS-5cd9ea36-17
0.740
MAT-POS-4223bc15-1
0.734
PET-UNK-d61f3ea6-2
0.726
PET-UNK-af70882d-4
0.724
ALF-EVA-0e90125c-4
0.720
BRU-THA-d60fe444-1
0.719
MAT-POS-4223bc15-3
0.716
EDJ-MED-1981ceba-2
0.711
EDJ-MED-1981ceba-3
0.710
EDJ-MED-76744c27-5
0.707
EDJ-MED-7f6e5b75-1
0.707
MAT-POS-4223bc15-5
0.704
ANN-CHE-e1757302-1
0.703
MAT-POS-4223bc15-4
0.703
MAT-POS-4223bc15-13
0.701
BRU-THA-98e973b9-1
0.701
BEN-DND-32596b04-6
0.699
MAT-POS-5cd9ea36-24
0.697
MAT-POS-4223bc15-29
0.697
PET-UNK-d61f3ea6-1
0.697
EDJ-MED-76744c27-3
0.697
MAT-POS-5cd9ea36-4
0.697
ANN-CHE-e1757302-3
0.696
BEN-DND-32596b04-7
0.694
EDJ-MED-1981ceba-5
0.693
MAT-POS-dc2604c4-4
0.693
EDJ-MED-76744c27-6
0.693
BEN-DND-32596b04-2
0.693
PET-UNK-de87a406-1
0.693
RAL-THA-ee48ba5f-5
0.691
EDJ-MED-76744c27-7
0.689
EDJ-MED-76744c27-2
0.689
MAT-POS-4223bc15-7
0.687
MAT-POS-4223bc15-15
0.687
MAT-POS-5cd9ea36-2
0.687
ANN-CHE-e1757302-2
0.686
MAT-POS-dd1fff26-2
0.686
BEN-DND-32596b04-5
0.686
EDJ-MED-4fff0a85-2
0.686
MAT-POS-5cd9ea36-10
0.686
MAT-POS-dd1fff26-1
0.686
MAT-POS-5cd9ea36-11
0.686
PET-UNK-615ad708-5
0.683
PET-UNK-ff046148-1
0.683
PET-UNK-d61f3ea6-3
0.683
PET-UNK-af70882d-2
0.683
PET-UNK-615ad708-2
0.683
MAT-POS-bf364d7a-7
0.683
MAT-POS-bf364d7a-8
0.683
ALF-EVA-07677224-7
0.683
EDJ-MED-76744c27-4
0.683
XIA-UNK-50bd045a-1
0.680
PET-UNK-af70882d-1
0.680
MAT-POS-bf364d7a-5
0.680
EDJ-MED-76744c27-1
0.680
MAT-POS-5cd9ea36-1
0.680
MAT-POS-bf364d7a-6
0.680
MAT-POS-4223bc15-24
0.677
EDJ-MED-1981ceba-1
0.676
BEN-DND-32596b04-8
0.676
MAT-POS-4223bc15-9
0.673
MAT-POS-61f37a1a-2
0.673
RAL-THA-ee48ba5f-2
0.673
MAT-POS-5cd9ea36-3
0.673
MAT-POS-4223bc15-31
0.673
MAT-POS-5cd9ea36-12
0.673
MAT-POS-4223bc15-18
0.670
MAT-POS-4223bc15-11
0.670
MAT-POS-4223bc15-14
0.670
BEN-DND-32596b04-1
0.670
MAT-POS-5cd9ea36-9
0.670
JOH-SUS-07b743f6-5
0.670
JOH-SUS-07b743f6-7
0.670
ALF-EVA-07677224-6
0.670
MAT-POS-dc2604c4-2
0.670
VLA-UNK-5b0345c3-3
0.667
MAT-POS-4223bc15-19
0.667
EDJ-MED-1981ceba-4
0.667
ALF-EVA-07677224-3
0.667
ALF-EVA-07677224-8
0.667
ALF-EVA-07677224-9
0.667
RAL-THA-6e4c80cf-1
0.667
ANN-CHE-e1757302-5
0.663
MAT-POS-dc2604c4-1
0.663