Molecular Properties | |
SMILES: | CN1CC(C)(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 493.05 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 113.51 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.522884288173545 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Activated haloaromatics
ALP-POS-1cbc2fae-1
EDG-MED-b8f93667-2
0.747
EDJ-MED-b2a1399d-2
0.742
EDG-MED-b8f93667-3
0.739
EDJ-MED-b2a1399d-1
0.735
EDJ-MED-c3ea9889-3
0.735
EDG-MED-b8f93667-6
0.735
EDG-MED-b8f93667-8
0.727
PET-UNK-6e612674-7
0.719
PET-UNK-6e612674-15
0.719
MAT-POS-83f73d0a-3
0.703
EDJ-MED-dac03e7f-2
0.692
EDJ-MED-dac03e7f-1
0.686
EDJ-MED-dac03e7f-3
0.679
EDJ-MED-dac03e7f-4
0.679
MAT-POS-c88128cb-14
0.677
EDJ-MED-70ab3faf-2
0.667
LUO-POS-c9faae85-1
0.587
PET-UNK-6e612674-3
0.583
PET-UNK-6e612674-11
0.583
EDJ-MED-c3ea9889-2
0.573
EDJ-MED-211392e3-2
0.562
EDG-MED-b8f93667-5
0.560
PET-UNK-6e612674-8
0.556
PET-UNK-6e612674-16
0.556
EDG-MED-b8f93667-1
0.555
EDG-MED-b8f93667-7
0.555
PET-UNK-6e612674-6
0.554
PET-UNK-6e612674-14
0.554
MAT-POS-c88128cb-5
0.542
LUO-POS-66f38ea0-1
0.542
EDJ-MED-c3ea9889-1
0.541
EDJ-MED-3bfd841e-1
0.541
LUO-POS-3b937086-1
0.541
MAT-POS-c88128cb-8
0.541
MAT-POS-83f73d0a-4
0.538
MAT-POS-c88128cb-3
0.532
MAT-POS-c88128cb-6
0.532
LUO-POS-e3baa4d7-1
0.532
PET-UNK-5ad1c31a-12
0.528
PET-UNK-5ad1c31a-5
0.528
PET-UNK-5ad1c31a-6
0.528
PET-UNK-5ad1c31a-11
0.528
MIK-ENA-d22671f7-1
0.523
MAT-POS-e119ab4f-5
0.523
LUO-POS-868e8996-1
0.523
MIK-ENA-e76e31f3-1
0.523
MIK-ENA-f5fe7855-1
0.523
LUO-POS-868e8996-2
0.523
PET-UNK-6e612674-5
0.523
PET-UNK-6e612674-13
0.523
MAT-POS-c88128cb-4
0.519
MAT-POS-c88128cb-9
0.518
EDJ-MED-dac03e7f-6
0.513
EDJ-MED-dac03e7f-5
0.509
EDJ-MED-dac03e7f-8
0.509
MAT-POS-c88128cb-10
0.504
EDJ-MED-dac03e7f-7
0.504
EDJ-MED-93390d0c-2
0.500
PET-UNK-1abb40f2-2
0.500
PET-UNK-1abb40f2-4
0.500
EDJ-MED-c3ea9889-5
0.495
MAT-POS-c88128cb-7
0.491
EDJ-MED-70ab3faf-3
0.486
MAT-POS-c88128cb-13
0.486
EDJ-MED-f9b78f78-1
0.481
ALP-POS-1cbc2fae-1
0.476
MAT-POS-806462de-1
0.476
MAT-POS-806462de-2
0.476
EDJ-MED-b2a1399d-4
0.474
EDJ-MED-841e0cf0-4
0.459
EDJ-MED-670ad2ee-4
0.459
EDJ-MED-b2a1399d-3
0.458
EDJ-MED-70ab3faf-1
0.453
EDJ-MED-41558c53-8
0.449
PET-UNK-6e612674-4
0.447
EDJ-MED-41558c53-10
0.447
PET-UNK-6e612674-12
0.447
EDJ-MED-93390d0c-3
0.442
EDJ-MED-d165ed91-2
0.437
EDJ-MED-41558c53-4
0.437
MAT-POS-c88128cb-12
0.436
EDG-MED-ee636701-1
0.436
PET-UNK-6e612674-2
0.435
PET-UNK-6e612674-10
0.435
MAT-POS-666635d5-1
0.435
EDJ-MED-c3ea9889-4
0.435
EDJ-MED-ede277f6-12
0.434
MAT-POS-7ddaf7de-2
0.427
ERI-UCB-8d4e5055-3
0.427
EDJ-MED-6bf93aa8-1
0.422
PET-UNK-c671f938-7
0.422
PET-UNK-c671f938-3
0.422
EDG-MED-10fcb19e-4
0.421
MAT-POS-c88128cb-11
0.421
MIC-UNK-7f86385f-1
0.419
EDJ-MED-7889e8da-6
0.418
EDJ-MED-378a25ea-9
0.418
EDJ-MED-d165ed91-5
0.417
EDJ-MED-41558c53-14
0.417
EDJ-MED-d165ed91-1
0.415