Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3ccccc23)CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 401.06 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 88.16 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.262511215514625 |
Order Status | |
Ordered: | 2021-06-25 |
Synthesis Location: | enamine |
Shipped: | 2021-09-01 |
Activated haloaromatics
EDJ-MED-b2a1399d-2
EDJ-MED-b2a1399d-4
EDJ-MED-b2a1399d-3
EDJ-MED-b2a1399d-1
EDJ-MED-dac03e7f-7
EDJ-MED-dac03e7f-4
EDJ-MED-dac03e7f-3
EDJ-MED-dac03e7f-2
EDJ-MED-dac03e7f-1
EDJ-MED-dac03e7f-8
EDJ-MED-dac03e7f-6
EDJ-MED-dac03e7f-5
EDG-MED-b8f93667-8
EDG-MED-b8f93667-7
EDG-MED-b8f93667-6
EDG-MED-b8f93667-5
EDG-MED-b8f93667-4
EDG-MED-b8f93667-3
EDG-MED-b8f93667-1
EDG-MED-b8f93667-2
MAT-POS-806462de-2
MAT-POS-806462de-1
LUO-POS-ba0d8665-1
LUO-POS-433ce175-1
EDJ-MED-f9b78f78-6
EDJ-MED-f9b78f78-5
EDJ-MED-f9b78f78-3
EDJ-MED-f9b78f78-2
EDJ-MED-f9b78f78-1
EDJ-MED-f9b78f78-4
PET-UNK-1abb40f2-4
PET-UNK-1abb40f2-2
PET-UNK-1abb40f2-1
PET-UNK-1abb40f2-3
PET-UNK-5ad1c31a-11
PET-UNK-5ad1c31a-10
PET-UNK-5ad1c31a-9
PET-UNK-5ad1c31a-7
PET-UNK-5ad1c31a-6
PET-UNK-5ad1c31a-5
PET-UNK-5ad1c31a-4
PET-UNK-5ad1c31a-1
PET-UNK-5ad1c31a-2
PET-UNK-5ad1c31a-12
PET-UNK-5ad1c31a-8
PET-UNK-5ad1c31a-3
MAT-POS-806462de-1
1.000
MAT-POS-806462de-2
1.000
MAT-POS-c88128cb-12
0.776
MAT-POS-c88128cb-13
0.747
MAT-POS-c88128cb-11
0.722
MAT-POS-c88128cb-14
0.711
PET-UNK-1abb40f2-1
0.685
PET-UNK-1abb40f2-3
0.685
ALP-POS-1cbc2fae-2
0.685
MAT-POS-83f73d0a-3
0.663
MAT-POS-c88128cb-15
0.656
EDJ-MED-70ab3faf-1
0.652
EDJ-MED-2f867453-1
0.618
MAT-POS-83f73d0a-4
0.611
MAT-POS-c88128cb-4
0.602
MIK-ENA-f5fe7855-1
0.592
LUO-POS-868e8996-2
0.592
MAT-POS-e119ab4f-5
0.592
MIK-ENA-e76e31f3-1
0.592
MIK-ENA-d22671f7-1
0.592
LUO-POS-868e8996-1
0.592
RAL-THA-176e263b-4
0.591
MAT-POS-22e8b45a-2
0.591
LUO-POS-66f38ea0-1
0.580
MAT-POS-c88128cb-5
0.580
PET-UNK-5ad1c31a-5
0.580
PET-UNK-5ad1c31a-6
0.580
PET-UNK-5ad1c31a-11
0.580
PET-UNK-5ad1c31a-12
0.580
MIK-ENA-5d9157e9-5
0.579
MIK-ENA-5d9157e9-6
0.579
ALP-POS-5fe48310-1
0.579
LUO-POS-433ce175-1
0.576
PET-UNK-022eab87-2
0.570
LUO-POS-e3baa4d7-1
0.569
MAT-POS-c88128cb-3
0.569
MAT-POS-c88128cb-6
0.569
MAT-POS-c88128cb-8
0.563
LUO-POS-3b937086-1
0.563
ALP-POS-1460fd94-3
0.553
MAT-POS-c88128cb-7
0.552
MAT-POS-c88128cb-9
0.551
MAT-POS-8e4737f4-1
0.543
DAR-DIA-6a508060-10
0.543
EDJ-MED-e4b030d8-13
0.543
BEN-DND-a7517465-4
0.543
PET-UNK-407a74a5-6
0.542
EDJ-MED-211392e3-1
0.541
MIC-UNK-ea4eb352-1
0.541
EDJ-MED-2f867453-2
0.538
MAT-POS-c88128cb-10
0.537
MAT-POS-2e8b2191-5
0.537
PET-UNK-1abb40f2-2
0.535
PET-UNK-1abb40f2-4
0.535
MAT-POS-fb82b63d-2
0.532
MAT-POS-2e8b2191-4
0.531
PET-UNK-6e612674-2
0.526
PET-UNK-6e612674-10
0.526
ALP-POS-e266d783-2
0.515
MAT-UNK-28cf4d29-1
0.515
MAT-POS-89bd6af1-3
0.515
EDJ-MED-9e38fd34-2
0.511
EDJ-MED-9e38fd34-1
0.511
EDJ-MED-9e38fd34-3
0.511
DAR-DIA-0d514e7d-30
0.510
RAL-THA-176e263b-3
0.510
RAL-THA-176e263b-1
0.510
MAT-POS-22e8b45a-3
0.510
PET-UNK-c0891748-3
0.510
PET-UNK-c0891748-9
0.510
PET-UNK-407a74a5-1
0.510
PET-UNK-6e612674-1
0.510
PET-UNK-6e612674-9
0.510
JOH-UNI-e398da21-1
0.500
PET-UNK-ad758083-5
0.500
PET-UNK-407a74a5-7
0.500
EDG-MED-b8f93667-3
0.500
PET-UNK-1b92fa34-5
0.500
MIC-UNK-54748b58-2
0.495
EDJ-MED-e4b030d8-1
0.495
VLA-UCB-1dbca3b4-14
0.495
PET-UNK-5ad1c31a-4
0.491
PET-UNK-5ad1c31a-9
0.491
PET-UNK-5ad1c31a-10
0.491
PET-UNK-5ad1c31a-3
0.491
ALP-POS-a577c8a2-1
0.490
BEN-DND-d6f8d3c6-1
0.490
EDJ-MED-e18764cb-2
0.490
MAT-POS-af1eef35-3
0.490
PET-UNK-0d6841fa-5
0.486
PET-UNK-6e612674-3
0.486
PET-UNK-6e612674-11
0.486
MIC-UNK-6e9f8a43-2
0.485
PET-UNK-407a74a5-8
0.485
EDG-MED-971238d3-4
0.485
MAT-POS-2905de8c-1
0.485
MAT-POS-3b97339c-2
0.485
PET-UNK-757f8bc8-8
0.481
LUO-POS-868e8996-6
0.481
MAT-POS-853c0ffa-2
0.481