Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@](C)(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 472.1 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.47 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.075773678130474 |
Order Status | |
Ordered: | 2021-10-28 |
Synthesis Location: | enamine |
Shipped: | 2021-11-17 |
Activated haloaromatics
MIK-ENA-f5fe7855-1
1.000
LUO-POS-868e8996-1
1.000
LUO-POS-868e8996-2
1.000
MIK-ENA-d22671f7-1
1.000
MIK-ENA-e76e31f3-1
1.000
MAT-POS-83f73d0a-4
0.809
PET-UNK-5ad1c31a-6
0.804
PET-UNK-5ad1c31a-12
0.804
EDJ-MED-c3ea9889-2
0.791
PET-UNK-5ad1c31a-5
0.785
PET-UNK-5ad1c31a-11
0.785
MAT-POS-c88128cb-4
0.774
LUO-POS-66f38ea0-1
0.766
MAT-POS-c88128cb-5
0.766
EDJ-MED-3bfd841e-1
0.760
MAT-POS-c88128cb-3
0.750
MAT-POS-c88128cb-6
0.750
LUO-POS-e3baa4d7-1
0.750
MAT-POS-c88128cb-8
0.742
EDJ-MED-c3ea9889-1
0.742
LUO-POS-3b937086-1
0.742
MAT-POS-83f73d0a-3
0.733
MAT-POS-c88128cb-7
0.727
EDJ-MED-c3ea9889-3
0.727
MIC-UNK-54748b58-2
0.714
MAT-POS-c88128cb-9
0.706
MAT-POS-c88128cb-10
0.706
EDJ-MED-c3ea9889-4
0.677
MAT-POS-666635d5-1
0.677
EDJ-MED-b2a1399d-4
0.638
EDJ-MED-b2a1399d-3
0.630
MAT-POS-89bd6af1-3
0.629
MAT-UNK-28cf4d29-1
0.629
ALP-POS-e266d783-2
0.629
EDJ-MED-dac03e7f-6
0.620
EDJ-MED-dac03e7f-5
0.615
EDJ-MED-dac03e7f-8
0.615
EDJ-MED-70ab3faf-1
0.615
EDJ-MED-dac03e7f-7
0.609
EDJ-MED-dac03e7f-2
0.595
MAT-POS-806462de-1
0.592
MAT-POS-806462de-2
0.592
ALP-POS-1cbc2fae-1
0.592
EDJ-MED-dac03e7f-1
0.589
LUO-POS-868e8996-6
0.587
MAT-POS-853c0ffa-2
0.587
ALP-POS-e266d783-1
0.587
EDJ-MED-43f8f7d6-5
0.587
LUO-POS-868e8996-5
0.587
EDJ-MED-dac03e7f-3
0.584
EDJ-MED-dac03e7f-4
0.584
EDG-MED-b8f93667-5
0.583
LUO-POS-c9faae85-1
0.581
PET-UNK-5ad1c31a-10
0.579
PET-UNK-5ad1c31a-3
0.579
PET-UNK-5ad1c31a-4
0.579
PET-UNK-5ad1c31a-9
0.579
EDG-MED-b8f93667-6
0.569
PET-UNK-1abb40f2-2
0.569
PET-UNK-1abb40f2-4
0.569
EDG-MED-b8f93667-1
0.564
EDG-MED-b8f93667-7
0.564
EDG-MED-b8f93667-8
0.550
EDG-MED-b8f93667-3
0.548
MIC-UNK-54748b58-1
0.547
EDG-MED-b8f93667-2
0.540
RAL-THA-a9c31980-7
0.536
PET-UNK-022eab87-2
0.525
EDG-MED-b8f93667-4
0.523
MAT-POS-83a7b0a0-1
0.519
EDJ-MED-b1cef252-1
0.519
MAT-POS-89bd6af1-4
0.519
MAT-POS-8e4737f4-1
0.515
DAR-DIA-6a508060-10
0.515
EDJ-MED-e4b030d8-13
0.515
BEN-DND-a7517465-4
0.515
PET-UNK-757f8bc8-8
0.514
EDJ-MED-2f867453-1
0.505
PET-UNK-1abb40f2-3
0.505
PET-UNK-1abb40f2-1
0.505
ALP-POS-1cbc2fae-2
0.505
PET-UNK-757f8bc8-7
0.505
MIC-UNK-54748b58-4
0.505
EDJ-MED-b2a1399d-2
0.504
ALP-POS-4483ae88-2
0.504
MIC-UNK-ea4eb352-1
0.500
EDJ-MED-211392e3-1
0.500
ALP-POS-c56c1477-4
0.500
MAT-POS-89bd6af1-1
0.500
PET-UNK-407a74a5-6
0.500
LUO-POS-433ce175-1
0.500
EDJ-MED-b2a1399d-1
0.500
PET-UNK-757f8bc8-5
0.496
PET-UNK-7955f415-2
0.496
PET-UNK-7955f415-4
0.496
MAT-POS-2e8b2191-5
0.495
PET-UNK-757f8bc8-6
0.491
EDJ-MED-82bd779b-1
0.491
PET-UNK-7955f415-1
0.491
PET-UNK-7955f415-3
0.491