Molecular Properties | |
SMILES: | CNS(=O)(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 430.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.54750085969304 |
Order Status | |
Ordered: | 2021-08-25 |
Synthesis Location: | enamine |
Shipped: | 2021-10-07 |
Hetero_hetero
EDJ-MED-2791eece-8
1.000
EDJ-MED-b774e9fe-2
0.800
EDJ-MED-2791eece-6
0.800
EDJ-MED-2791eece-10
0.773
EDJ-MED-036ae2e9-3
0.773
EDJ-MED-2791eece-11
0.764
EDJ-MED-036ae2e9-7
0.739
EDJ-MED-036ae2e9-9
0.728
EDJ-MED-036ae2e9-10
0.728
EDJ-MED-487c5e9f-9
0.728
EDJ-MED-487c5e9f-7
0.716
EDJ-MED-487c5e9f-10
0.716
EDJ-MED-036ae2e9-11
0.708
EDJ-MED-487c5e9f-2
0.704
EDJ-MED-036ae2e9-12
0.701
EDJ-MED-487c5e9f-8
0.701
EDJ-MED-487c5e9f-6
0.701
EDJ-MED-487c5e9f-11
0.691
ALP-POS-d054b76b-2
0.689
EDJ-MED-b774e9fe-1
0.689
EDJ-MED-2791eece-2
0.689
MAT-POS-fb82b63d-3
0.685
EDJ-MED-487c5e9f-5
0.684
EDJ-MED-487c5e9f-3
0.680
EDJ-MED-2791eece-12
0.674
EDJ-MED-036ae2e9-2
0.667
EDJ-MED-487c5e9f-12
0.663
EDJ-MED-2791eece-5
0.646
EDJ-MED-036ae2e9-1
0.645
EDJ-MED-2791eece-1
0.642
MAT-POS-fb82b63d-4
0.625
EDJ-MED-2791eece-4
0.622
EDJ-MED-2791eece-3
0.616
EDJ-MED-2791eece-7
0.616
EDJ-MED-487c5e9f-4
0.608
EDJ-MED-036ae2e9-4
0.604
EDJ-MED-2791eece-9
0.602
ALP-POS-d054b76b-4
0.598
EDJ-MED-036ae2e9-5
0.596
EDJ-MED-036ae2e9-6
0.594
EDJ-MED-036ae2e9-8
0.592
MAT-POS-4223bc15-1
0.592
EDJ-MED-487c5e9f-1
0.587
MAT-POS-24589f88-2
0.561
MAT-POS-24589f88-3
0.561
MAT-POS-dd3ad2b5-4
0.561
DAR-DIA-4987d2cd-4
0.554
DAR-DIA-4987d2cd-3
0.549
MAT-POS-5cd9ea36-4
0.548
MAT-POS-4223bc15-29
0.548
MAT-POS-4223bc15-3
0.545
DAR-DIA-0f2f46c9-7
0.545
DAR-DIA-0f2f46c9-8
0.545
DAR-DIA-0f2f46c9-9
0.545
MAT-POS-4223bc15-6
0.545
ALP-POS-477dc5b7-1
0.542
MAT-POS-fb82b63d-1
0.542
MIC-UNK-91acba05-4
0.542
PET-UNK-d61f3ea6-2
0.539
MAT-POS-4223bc15-2
0.539
MAT-POS-5cd9ea36-17
0.538
RAL-THA-ee48ba5f-1
0.533
EDJ-MED-fa7708b3-1
0.533
CLI-TLC-3a13eaf2-1
0.529
EDJ-MED-1981ceba-2
0.529
BEN-DND-f2e727cd-6
0.525
MAT-POS-dd3ad2b5-1
0.525
RAL-THA-ee48ba5f-5
0.524
MAT-POS-4223bc15-23
0.524
MAT-POS-8293a91a-4
0.524
MAT-POS-8293a91a-5
0.524
MAT-POS-5cd9ea36-2
0.524
PET-UNK-d61f3ea6-3
0.523
MAT-POS-4223bc15-18
0.520
BRU-THA-98e973b9-1
0.519
MAT-POS-acfe5bae-3
0.519
BRU-THA-d60fe444-1
0.519
MAT-POS-4223bc15-13
0.519
DAR-DIA-d8bd013f-1
0.519
EDJ-MED-76744c27-3
0.519
MAT-POS-5cd9ea36-14
0.519
PET-UNK-d61f3ea6-1
0.519
DAR-DIA-d8bd013f-3
0.519
BEN-DND-32596b04-2
0.519
EDJ-MED-1981ceba-1
0.519
EDJ-MED-1981ceba-5
0.519
ALF-EVA-07677224-2
0.519
RAL-THA-6e4c80cf-1
0.515
MAT-POS-4223bc15-19
0.515
MAT-POS-dd3ad2b5-2
0.515
PET-UNK-9b23ef84-2
0.515
MAT-POS-dd3ad2b5-5
0.515
MAT-POS-4223bc15-24
0.514
BEN-DND-32596b04-7
0.514
PET-UNK-af70882d-4
0.514
EDJ-MED-76744c27-5
0.514
MAT-POS-5cd9ea36-3
0.514
MAT-POS-5cd9ea36-20
0.514
EDJ-MED-7f6e5b75-1
0.514
PET-UNK-af70882d-3
0.514