Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3ccccc23)CN(CC2CC2)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 455.11 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.634333895695939 |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | 2021-11-17 |
Activated haloaromatics
LUO-POS-66f38ea0-1
1.000
MAT-POS-c88128cb-9
0.892
MAT-POS-c88128cb-10
0.892
LUO-POS-3b937086-1
0.879
MAT-POS-c88128cb-8
0.879
MAT-POS-83f73d0a-4
0.791
PET-UNK-5ad1c31a-11
0.768
PET-UNK-5ad1c31a-5
0.768
MIK-ENA-d22671f7-1
0.766
MIK-ENA-e76e31f3-1
0.766
MAT-POS-e119ab4f-5
0.766
MIK-ENA-f5fe7855-1
0.766
LUO-POS-868e8996-1
0.766
LUO-POS-868e8996-2
0.766
EDG-MED-b8f93667-5
0.765
MAT-POS-c88128cb-4
0.758
MAT-POS-c88128cb-6
0.753
PET-UNK-5ad1c31a-6
0.750
PET-UNK-5ad1c31a-12
0.750
EDG-MED-b8f93667-6
0.747
LUO-POS-e3baa4d7-1
0.735
MAT-POS-c88128cb-3
0.735
MAT-POS-83f73d0a-3
0.717
MAT-POS-c88128cb-7
0.713
EDG-MED-b8f93667-7
0.673
EDG-MED-b8f93667-8
0.657
EDJ-MED-c3ea9889-2
0.602
EDJ-MED-c3ea9889-3
0.587
EDJ-MED-70ab3faf-1
0.586
EDJ-MED-3bfd841e-1
0.583
EDJ-MED-b2a1399d-4
0.582
MAT-POS-806462de-2
0.580
ALP-POS-1cbc2fae-1
0.580
MAT-POS-806462de-1
0.580
EDJ-MED-b2a1399d-3
0.575
EDJ-MED-dac03e7f-2
0.570
LUO-POS-c9faae85-1
0.570
EDJ-MED-c3ea9889-1
0.569
PET-UNK-5ad1c31a-3
0.569
PET-UNK-5ad1c31a-9
0.569
EDJ-MED-dac03e7f-6
0.566
MIC-UNK-54748b58-2
0.560
PET-UNK-1abb40f2-2
0.558
PET-UNK-1abb40f2-4
0.558
EDG-MED-b8f93667-2
0.558
PET-UNK-5ad1c31a-4
0.555
PET-UNK-5ad1c31a-10
0.555
EDG-MED-b8f93667-1
0.554
EDJ-MED-dac03e7f-1
0.552
EDJ-MED-dac03e7f-5
0.548
EDJ-MED-dac03e7f-3
0.547
EDJ-MED-dac03e7f-7
0.543
EDG-MED-b8f93667-4
0.542
MAT-UNK-28cf4d29-1
0.538
ALP-POS-e266d783-2
0.538
MAT-POS-89bd6af1-3
0.538
EDG-MED-b8f93667-3
0.538
EDJ-MED-dac03e7f-8
0.534
EDJ-MED-dac03e7f-4
0.534
PET-UNK-022eab87-2
0.529
MAT-POS-853c0ffa-2
0.518
ALP-POS-e266d783-1
0.518
EDJ-MED-43f8f7d6-5
0.518
LUO-POS-868e8996-5
0.518
LUO-POS-868e8996-6
0.518
MAT-POS-666635d5-1
0.514
EDJ-MED-c3ea9889-4
0.514
RAL-THA-a9c31980-7
0.513
MAT-POS-8e4737f4-1
0.505
DAR-DIA-6a508060-10
0.505
EDJ-MED-e4b030d8-13
0.505
BEN-DND-a7517465-4
0.505
MIC-UNK-ea4eb352-1
0.505
EDJ-MED-211392e3-1
0.505
PET-UNK-757f8bc8-8
0.505
ALP-POS-c56c1477-4
0.504
MAT-POS-89bd6af1-1
0.504
EDJ-MED-b2a1399d-2
0.496
PET-UNK-757f8bc8-6
0.496
PET-UNK-757f8bc8-7
0.496
PET-UNK-1abb40f2-1
0.495
ALP-POS-1cbc2fae-2
0.495
PET-UNK-1abb40f2-3
0.495
EDJ-MED-2f867453-1
0.495
EDJ-MED-b2a1399d-1
0.491
RAL-THA-176e263b-4
0.491
PET-UNK-407a74a5-6
0.491
MAT-POS-22e8b45a-2
0.491
LUO-POS-433ce175-1
0.490
EDJ-MED-9e38fd34-3
0.490
EDJ-MED-9e38fd34-2
0.490
EDJ-MED-9e38fd34-1
0.490
PET-UNK-757f8bc8-5
0.487
MAT-POS-2e8b2191-5
0.486
EDJ-MED-82bd779b-1
0.483
MAT-POS-2e8b2191-4
0.481
VLA-UCB-1dbca3b4-14
0.476
EDJ-MED-e4b030d8-1
0.476
MIC-UNK-f792ef5d-1
0.474
PET-UNK-ad758083-5
0.470