Molecular Properties | |
SMILES: | CS(=O)(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 415.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.60347463757609 |
Order Status | |
Ordered: | 2021-08-25 |
Synthesis Location: | enamine |
Shipped: | 2021-09-29 |
Hetero_hetero
EDJ-MED-2791eece-6
1.000
EDJ-MED-2791eece-8
0.800
EDJ-MED-b774e9fe-3
0.800
EDJ-MED-036ae2e9-3
0.800
EDJ-MED-2791eece-11
0.791
EDJ-MED-2791eece-10
0.779
ALP-POS-d054b76b-2
0.753
EDJ-MED-036ae2e9-9
0.753
EDJ-MED-036ae2e9-10
0.753
EDJ-MED-487c5e9f-9
0.753
EDJ-MED-036ae2e9-7
0.744
EDJ-MED-487c5e9f-10
0.739
EDJ-MED-036ae2e9-11
0.731
EDJ-MED-487c5e9f-8
0.723
EDJ-MED-487c5e9f-7
0.720
EDJ-MED-487c5e9f-11
0.713
MAT-POS-fb82b63d-3
0.709
EDJ-MED-487c5e9f-2
0.708
EDJ-MED-036ae2e9-12
0.705
EDJ-MED-487c5e9f-5
0.705
EDJ-MED-487c5e9f-6
0.705
EDJ-MED-487c5e9f-3
0.701
EDJ-MED-2791eece-2
0.693
EDJ-MED-b774e9fe-1
0.693
EDJ-MED-2791eece-12
0.678
EDJ-MED-036ae2e9-2
0.670
EDJ-MED-036ae2e9-1
0.667
EDJ-MED-487c5e9f-12
0.650
EDJ-MED-2791eece-5
0.649
EDJ-MED-2791eece-1
0.645
MAT-POS-fb82b63d-4
0.645
EDJ-MED-2791eece-3
0.635
EDJ-MED-2791eece-7
0.635
EDJ-MED-2791eece-4
0.625
EDJ-MED-2791eece-9
0.620
EDJ-MED-036ae2e9-6
0.612
EDJ-MED-036ae2e9-8
0.610
EDJ-MED-487c5e9f-4
0.610
EDJ-MED-036ae2e9-4
0.606
ALP-POS-d054b76b-4
0.600
EDJ-MED-036ae2e9-5
0.598
MAT-POS-dd3ad2b5-4
0.596
MAT-POS-24589f88-2
0.596
MAT-POS-24589f88-3
0.596
EDJ-MED-487c5e9f-1
0.588
ALP-POS-477dc5b7-1
0.559
MAT-POS-fb82b63d-1
0.559
MIC-UNK-91acba05-4
0.559
ALP-POS-d054b76b-1
0.558
DAR-DIA-4987d2cd-4
0.556
DAR-DIA-0f2f46c9-5
0.552
DAR-DIA-0f2f46c9-6
0.552
DAR-DIA-0f2f46c9-4
0.552
MAT-POS-2e8b2191-1
0.551
DAR-DIA-4987d2cd-3
0.550
MAT-POS-4223bc15-1
0.545
MAT-POS-4223bc15-6
0.545
MAT-POS-4223bc15-2
0.540
PET-UNK-d61f3ea6-2
0.540
RAL-THA-ee48ba5f-5
0.540
PET-UNK-d61f3ea6-3
0.538
EDJ-MED-0047eae5-1
0.535
MAT-POS-4223bc15-29
0.534
MAT-POS-4223bc15-3
0.530
EDJ-MED-1981ceba-2
0.529
EDJ-MED-4fff0a85-2
0.528
MAT-POS-dd3ad2b5-1
0.526
BEN-DND-f2e727cd-6
0.526
MAT-POS-5cd9ea36-17
0.524
BRU-THA-98e973b9-1
0.520
MAT-POS-4223bc15-13
0.520
BRU-THA-d60fe444-1
0.520
MAT-POS-5cd9ea36-4
0.519
PET-UNK-d61f3ea6-1
0.519
EDJ-MED-76744c27-3
0.519
EDJ-MED-1981ceba-5
0.519
ALF-EVA-07677224-2
0.519
BEN-DND-32596b04-2
0.519
MAT-POS-dd3ad2b5-2
0.515
MAT-POS-4223bc15-19
0.515
RAL-THA-6e4c80cf-1
0.515
PET-UNK-9b23ef84-2
0.515
MAT-POS-4223bc15-24
0.515
BEN-DND-32596b04-7
0.515
MAT-POS-5cd9ea36-19
0.514
MAT-POS-5cd9ea36-20
0.514
EDJ-MED-7f6e5b75-1
0.514
PET-UNK-af70882d-3
0.514
PET-UNK-af70882d-4
0.514
EDJ-MED-76744c27-5
0.514
MAT-POS-5cd9ea36-10
0.514
MAT-POS-4223bc15-11
0.514
MAT-POS-dd1fff26-1
0.514
MAT-POS-dd1fff26-2
0.514
ANN-CHE-e1757302-1
0.514
MAR-UCB-6ab2ec87-6
0.510
BEN-DND-f2e727cd-4
0.510
BEN-DND-f2e727cd-5
0.510
MAT-POS-3ccb8ef6-1
0.510
MAT-POS-3ccb8ef6-2
0.510