Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)CN(CC2CC2)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 533.08 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 113.51 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.615398267067747 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-11-17 |
Activated haloaromatics
ALP-POS-1cbc2fae-1
EDG-MED-b8f93667-8
0.884
EDJ-MED-c3ea9889-3
0.780
EDG-MED-b8f93667-5
0.780
EDJ-MED-dac03e7f-2
0.769
EDG-MED-b8f93667-2
0.757
MAT-POS-c88128cb-5
0.747
LUO-POS-66f38ea0-1
0.747
EDJ-MED-dac03e7f-1
0.745
EDJ-MED-dac03e7f-3
0.738
EDG-MED-b8f93667-4
0.735
EDJ-MED-dac03e7f-4
0.722
MAT-POS-c88128cb-9
0.692
EDG-MED-b8f93667-7
0.689
EDJ-MED-b2a1399d-2
0.686
EDJ-MED-b2a1399d-1
0.679
LUO-POS-3b937086-1
0.676
MAT-POS-c88128cb-8
0.676
MAT-POS-c88128cb-10
0.676
EDJ-MED-c3ea9889-2
0.619
EDJ-MED-70ab3faf-2
0.615
MAT-POS-c88128cb-14
0.610
LUO-POS-c9faae85-1
0.602
PET-UNK-5ad1c31a-5
0.587
PET-UNK-6e612674-7
0.587
PET-UNK-5ad1c31a-11
0.587
PET-UNK-6e612674-15
0.587
EDJ-MED-c3ea9889-1
0.586
EDJ-MED-3bfd841e-1
0.586
MAT-POS-83f73d0a-4
0.585
EDJ-MED-dac03e7f-6
0.583
PET-UNK-5ad1c31a-6
0.573
PET-UNK-5ad1c31a-12
0.573
EDG-MED-b8f93667-1
0.570
MIK-ENA-d22671f7-1
0.569
MAT-POS-e119ab4f-5
0.569
LUO-POS-868e8996-1
0.569
MIK-ENA-e76e31f3-1
0.569
MIK-ENA-f5fe7855-1
0.569
LUO-POS-868e8996-2
0.569
EDJ-MED-dac03e7f-5
0.564
MAT-POS-c88128cb-4
0.564
MAT-POS-c88128cb-6
0.562
EDJ-MED-dac03e7f-7
0.559
EDJ-MED-dac03e7f-8
0.551
MAT-POS-c88128cb-3
0.549
LUO-POS-e3baa4d7-1
0.549
EDJ-MED-b2a1399d-4
0.543
EDG-MED-b8f93667-3
0.541
EDJ-MED-211392e3-2
0.536
MAT-POS-c88128cb-7
0.534
PET-UNK-6e612674-3
0.527
PET-UNK-6e612674-11
0.527
EDJ-MED-b2a1399d-3
0.525
MAT-POS-83f73d0a-3
0.523
EDJ-MED-93390d0c-2
0.478
EDJ-MED-c3ea9889-5
0.474
EDJ-MED-f9b78f78-1
0.473
PET-UNK-6e612674-8
0.467
PET-UNK-6e612674-16
0.467
MAT-POS-666635d5-1
0.466
EDJ-MED-c3ea9889-4
0.466
EDJ-MED-70ab3faf-3
0.454
MAT-POS-7ddaf7de-2
0.447
ERI-UCB-8d4e5055-3
0.447
PET-UNK-6e612674-6
0.447
PET-UNK-6e612674-14
0.447
EDJ-MED-41558c53-8
0.444
EDJ-MED-41558c53-10
0.442
MAT-POS-c88128cb-13
0.440
EDJ-MED-841e0cf0-4
0.440
EDJ-MED-670ad2ee-4
0.440
ALP-POS-1cbc2fae-1
0.430
MAT-POS-806462de-1
0.430
MAT-POS-806462de-2
0.430
EDJ-MED-ede277f6-12
0.430
EDJ-MED-7889e8da-6
0.425
EDJ-MED-378a25ea-9
0.425
EDJ-MED-93390d0c-3
0.425
PET-UNK-6e612674-5
0.425
PET-UNK-6e612674-13
0.425
EDJ-MED-41558c53-14
0.424
EDJ-MED-70ab3faf-1
0.421
PET-UNK-5ad1c31a-3
0.419
EDG-MED-ee636701-1
0.419
PET-UNK-5ad1c31a-9
0.419
EDJ-MED-41558c53-6
0.419
PET-UNK-6e612674-4
0.418
EDJ-MED-6bf93aa8-1
0.418
PET-UNK-c671f938-7
0.418
PET-UNK-c671f938-3
0.418
PET-UNK-6e612674-12
0.418
EDG-MED-10fcb19e-4
0.417
MIC-UNK-7f86385f-1
0.415
MIC-UNK-54748b58-2
0.411
EDJ-MED-41558c53-12
0.411
EDJ-MED-d165ed91-2
0.409
EDJ-MED-41558c53-4
0.409
EDJ-MED-e69ed63d-12
0.409
EDJ-MED-c99b2211-4
0.409
EDJ-MED-d165ed91-4
0.409