Molecular Properties | |
SMILES: | CN(CCO)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 474.11 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 102.84 |
cLogP: | 2.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.119706203151418 |
Order Status | |
Ordered: | 2021-07-11 |
Synthesis Location: | enamine |
Shipped: | 2021-09-01 |
Hetero_hetero
MAT-POS-5cd9ea36-21
0.845
MAT-POS-5cd9ea36-16
0.840
MAT-POS-5cd9ea36-22
0.837
MAT-POS-4223bc15-2
0.815
BEN-DND-32596b04-4
0.808
MAT-POS-5cd9ea36-18
0.806
MAT-POS-af1eef35-2
0.790
MAT-POS-51135489-1
0.790
EDJ-MED-e18764cb-3
0.790
MAT-POS-5cd9ea36-20
0.773
MAT-POS-5cd9ea36-19
0.773
PET-UNK-af70882d-3
0.755
MAT-POS-4223bc15-6
0.747
MAT-POS-4223bc15-5
0.735
MAT-POS-24589f88-3
0.734
MAT-POS-dd3ad2b5-4
0.734
MAT-POS-24589f88-2
0.734
ALF-EVA-0e90125c-4
0.733
MAT-POS-4223bc15-1
0.729
BRU-THA-d60fe444-1
0.714
MAT-POS-4223bc15-3
0.711
PET-UNK-d61f3ea6-2
0.704
PET-UNK-af70882d-4
0.703
EDJ-MED-7f6e5b75-1
0.703
EDJ-MED-76744c27-5
0.703
MAT-POS-5cd9ea36-17
0.700
ANN-CHE-e1757302-1
0.699
BEN-DND-32596b04-6
0.695
EDJ-MED-76744c27-3
0.693
MAT-POS-5cd9ea36-24
0.693
EDJ-MED-1981ceba-2
0.690
PET-UNK-de87a406-1
0.689
MAT-POS-4223bc15-7
0.683
MAT-POS-4223bc15-15
0.683
ANN-CHE-e1757302-2
0.683
EDJ-MED-4fff0a85-2
0.683
MAT-POS-5cd9ea36-10
0.683
MAT-POS-5cd9ea36-11
0.683
MAT-POS-4223bc15-4
0.683
MAT-POS-dd1fff26-1
0.683
MAT-POS-dd1fff26-2
0.683
MAT-POS-4223bc15-13
0.680
BRU-THA-98e973b9-1
0.680
PET-UNK-af70882d-2
0.680
PET-UNK-615ad708-5
0.680
PET-UNK-ff046148-1
0.680
PET-UNK-615ad708-2
0.680
MAT-POS-5cd9ea36-4
0.676
MAT-POS-4223bc15-29
0.676
PET-UNK-d61f3ea6-1
0.676
PET-UNK-af70882d-1
0.676
MAT-POS-bf364d7a-5
0.676
ANN-CHE-e1757302-3
0.676
MAT-POS-5cd9ea36-1
0.676
EDJ-MED-76744c27-1
0.676
MAT-POS-bf364d7a-6
0.676
BEN-DND-32596b04-7
0.673
EDJ-MED-1981ceba-5
0.673
MAT-POS-dc2604c4-4
0.673
BEN-DND-32596b04-2
0.673
EDJ-MED-76744c27-6
0.673
RAL-THA-ee48ba5f-2
0.670
EDJ-MED-76744c27-2
0.670
EDJ-MED-76744c27-7
0.670
MAT-POS-5cd9ea36-12
0.670
EDJ-MED-ede277f6-1
0.670
BEN-DND-32596b04-5
0.667
MAT-POS-5cd9ea36-2
0.667
MAT-POS-4223bc15-14
0.667
MAT-POS-5cd9ea36-9
0.667
EDJ-MED-76744c27-4
0.664
ALF-EVA-07677224-9
0.664
MAT-POS-bf364d7a-7
0.664
MAT-POS-bf364d7a-8
0.664
ALF-EVA-07677224-7
0.664
PET-UNK-d61f3ea6-3
0.663
BEN-DND-32596b04-3
0.660
ANN-CHE-e1757302-5
0.660
MAT-POS-dc2604c4-1
0.660
EDJ-MED-4fff0a85-4
0.660
MAT-POS-e194df51-1
0.660
MAT-POS-e194df51-2
0.660
JOH-SUS-07b743f6-6
0.660
PET-UNK-94036022-1
0.660
MAT-POS-bf364d7a-3
0.660
MAT-POS-bf364d7a-4
0.660
XIA-UNK-284f966f-1
0.660
PET-UNK-94036022-8
0.660
MAT-POS-bf364d7a-1
0.657
JOH-SUS-07b743f6-1
0.657
MAT-POS-bf364d7a-2
0.657
EDJ-MED-4fff0a85-3
0.657
EDJ-MED-1981ceba-3
0.657
BEN-DND-32596b04-8
0.657
EDJ-MED-1981ceba-1
0.657
MAT-POS-4223bc15-24
0.657
ANN-CHE-e1757302-4
0.654
XIA-UNK-c8ef6831-1
0.654
MAT-POS-4223bc15-31
0.654
ALP-POS-395d3f9b-1
0.654