Molecular Properties | |
SMILES: | CCC1(C(=O)Nc2cncc3ccccc23)CNS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 415.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 88.16 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0876185523897105 |
Order Status | |
Ordered: | 2021-06-25 |
Synthesis Location: | enamine |
Shipped: | 2021-10-28 |
Activated haloaromatics
ALP-POS-1cbc2fae-1
0.685
MAT-POS-806462de-1
0.685
MAT-POS-806462de-2
0.685
PET-UNK-1abb40f2-1
0.652
PET-UNK-1abb40f2-3
0.652
MAT-POS-22e8b45a-3
0.611
RAL-THA-176e263b-1
0.611
LUO-POS-433ce175-1
0.547
MAT-POS-83f73d0a-3
0.546
PET-UNK-022eab87-2
0.542
ALP-POS-1460fd94-3
0.542
EDJ-MED-70ab3faf-1
0.536
MAT-POS-83f73d0a-4
0.535
MAT-POS-c88128cb-12
0.530
MAT-POS-c88128cb-13
0.525
EDJ-MED-2f867453-1
0.521
PET-UNK-6e612674-10
0.515
PET-UNK-407a74a5-6
0.515
PET-UNK-6e612674-2
0.515
MIC-UNK-ea4eb352-1
0.515
EDJ-MED-211392e3-1
0.515
RAL-THA-176e263b-2
0.515
MAT-POS-c88128cb-4
0.514
PET-UNK-1abb40f2-2
0.510
PET-UNK-1abb40f2-4
0.510
PET-UNK-5ad1c31a-6
0.509
PET-UNK-5ad1c31a-12
0.509
MAT-POS-fb82b63d-2
0.505
MAT-POS-e6dd326d-1
0.505
MAT-POS-45b13633-1
0.505
DAR-DIA-ecdbc7dd-15
0.505
EDG-MED-971238d3-5
0.505
MAT-POS-2bb0cf2b-1
0.505
MIK-ENA-e76e31f3-1
0.505
MAT-POS-e119ab4f-5
0.505
MIK-ENA-f5fe7855-1
0.505
LUO-POS-868e8996-1
0.505
MIK-ENA-d22671f7-1
0.505
LUO-POS-868e8996-2
0.505
MAT-POS-e6dd326d-2
0.500
PET-UNK-c0891748-3
0.500
RAL-THA-e002e396-2
0.500
RAL-THA-e002e396-11
0.500
RAL-THA-e002e396-12
0.500
MAT-POS-45b13633-2
0.500
MAT-POS-22e8b45a-2
0.500
PET-UNK-407a74a5-1
0.500
PET-UNK-c0891748-9
0.500
MAT-POS-c88128cb-14
0.500
PET-UNK-6e612674-1
0.500
PET-UNK-6e612674-9
0.500
RAL-THA-176e263b-4
0.500
DAR-DIA-ecdbc7dd-14
0.500
MAT-POS-c88128cb-8
0.495
LUO-POS-3b937086-1
0.495
PET-UNK-5ad1c31a-4
0.495
PET-UNK-5ad1c31a-10
0.495
MAT-POS-c88128cb-5
0.495
LUO-POS-66f38ea0-1
0.495
PET-UNK-5ad1c31a-5
0.495
PET-UNK-5ad1c31a-11
0.495
EDJ-MED-f893e2a1-8
0.495
MAT-POS-c88128cb-11
0.495
MAT-POS-9db1e783-2
0.495
EDG-MED-971238d3-2
0.495
DAR-DIA-ecdbc7dd-7
0.491
PET-UNK-ad758083-5
0.491
EDJ-MED-424a8a89-2
0.491
MAT-POS-45b13633-3
0.490
MAT-POS-e6dd326d-3
0.490
ALP-POS-e266d783-2
0.490
MAT-POS-89bd6af1-3
0.490
MAT-UNK-28cf4d29-1
0.490
JOH-UNI-e398da21-1
0.490
PET-UNK-407a74a5-7
0.490
MAT-POS-c88128cb-9
0.487
MAT-POS-c88128cb-3
0.486
MIC-UNK-54748b58-2
0.486
LUO-POS-e3baa4d7-1
0.486
MAT-POS-c88128cb-6
0.486
MAT-POS-e6dd326d-12
0.486
DAR-DIA-ecdbc7dd-9
0.486
RAL-THA-e002e396-1
0.486
MIC-UNK-ea4eb352-4
0.485
MAT-POS-c7771779-1
0.485
MAT-POS-2905de8c-3
0.485
EDJ-MED-9e38fd34-2
0.485
EDJ-MED-9e38fd34-1
0.485
EDJ-MED-9e38fd34-3
0.485
PET-UNK-5ad1c31a-3
0.482
PET-UNK-5ad1c31a-9
0.482
PET-UNK-6e612674-4
0.481
PET-UNK-6e612674-12
0.481
MAT-POS-f9802937-6
0.481
MAT-POS-5d65ec79-2
0.481
MAT-POS-e6dd326d-4
0.481
MAT-POS-e6dd326d-9
0.481
MAT-POS-f9802937-5
0.481
MAT-POS-45b13633-4
0.481
EDG-MED-971238d3-9
0.481