Molecular Properties | |
SMILES: | COC1(CS(=O)(=O)N2CC(C(=O)Nc3cncc4cc(S(C)(=O)=O)ccc34)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 577.07 |
Fraction sp3: | 0.32 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 139.81 |
cLogP: | 2.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.772657804457949 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-11-03 |
Hetero_hetero
ALF-EVA-07677224-7
EDJ-MED-968bafd9-1
0.752
EDJ-MED-41558c53-14
0.649
EDJ-MED-41558c53-10
0.648
PET-UNK-c671f938-7
0.648
PET-UNK-c671f938-3
0.648
EDJ-MED-e69ed63d-4
0.640
MAT-POS-2e8b2191-12
0.640
EDJ-MED-0186a59b-7
0.640
EDJ-MED-41558c53-12
0.636
EDJ-MED-c99b2211-3
0.635
EDJ-MED-e69ed63d-10
0.629
EDJ-MED-d165ed91-2
0.628
EDJ-MED-41558c53-4
0.628
EDJ-MED-d165ed91-4
0.628
EDJ-MED-c99b2211-4
0.628
EDJ-MED-e69ed63d-12
0.628
EDJ-MED-e69ed63d-8
0.623
EDJ-MED-d165ed91-1
0.622
EDJ-MED-41558c53-2
0.622
EDJ-MED-e69ed63d-16
0.621
EDJ-MED-d165ed91-6
0.619
EDJ-MED-e69ed63d-2
0.617
EDJ-MED-41558c53-8
0.614
EDJ-MED-e69ed63d-14
0.607
EDJ-MED-41558c53-6
0.607
PET-UNK-3324058f-3
0.607
PET-UNK-3324058f-7
0.607
EDJ-MED-d165ed91-5
0.605
EDJ-MED-e69ed63d-5
0.602
EDJ-MED-d165ed91-3
0.602
EDJ-MED-e69ed63d-18
0.597
PET-UNK-8f269638-1
0.593
PET-UNK-8f269638-2
0.593
EDJ-MED-827e7cb4-9
0.592
ALP-POS-c56c1477-3
0.578
MAT-POS-acfe5bae-4
0.563
TET-ENA-df1c4375-1
0.563
EDJ-MED-827e7cb4-2
0.553
MAT-POS-5c19d660-1
0.545
EDJ-MED-0047eae5-1
0.541
EDJ-MED-7889e8da-6
0.537
EDJ-MED-378a25ea-9
0.537
EDG-MED-ee636701-1
0.534
MAT-POS-acfe5bae-3
0.526
PET-UNK-9b053684-2
0.524
PET-UNK-9b053684-5
0.524
EDJ-MED-0047eae5-2
0.522
EDJ-MED-ede277f6-12
0.516
EDJ-MED-41558c53-7
0.508
EDJ-MED-ede277f6-8
0.508
EDJ-MED-7889e8da-5
0.504
EDJ-MED-0186a59b-3
0.504
PET-UNK-c671f938-4
0.504
PET-UNK-c671f938-8
0.504
MAT-POS-b4d6b7fc-2
0.500
EDJ-MED-41558c53-9
0.500
EDJ-MED-41558c53-13
0.500
LUO-POS-74179f4f-1
0.500
EDJ-MED-0186a59b-6
0.500
LUO-POS-edefcc0e-1
0.500
EDJ-MED-ede277f6-6
0.496
MAT-POS-b4d6b7fc-4
0.496
MAT-POS-bf364d7a-7
0.496
MAT-POS-bf364d7a-8
0.496
ALF-EVA-07677224-7
0.496
EDJ-MED-76744c27-4
0.496
EDG-MED-e300b289-3
0.496
EDJ-MED-41558c53-11
0.496
PET-UNK-c671f938-2
0.496
PET-UNK-c671f938-6
0.496
EDJ-MED-41558c53-3
0.492
ERI-UCB-8d4e5055-3
0.491
EDJ-MED-f9b78f78-1
0.491
MAT-POS-7ddaf7de-2
0.491
EDJ-MED-ce467fd5-1
0.488
EDJ-MED-827e7cb4-3
0.488
PET-UNK-3324058f-4
0.485
PET-UNK-3324058f-8
0.485
EDJ-MED-41558c53-1
0.483
EDJ-MED-93390d0c-2
0.483
EDJ-MED-ede277f6-2
0.480
EDG-MED-9fc99cca-4
0.480
EDJ-MED-e69ed63d-11
0.480
MAT-POS-c7726e07-2
0.479
MAT-POS-c7726e07-1
0.479
MAT-POS-e119ab4f-1
0.479
EDJ-MED-0186a59b-5
0.479
EDJ-MED-e69ed63d-3
0.476
EDG-MED-e300b289-2
0.475
EDJ-MED-41558c53-5
0.475
PET-UNK-3324058f-2
0.475
PET-UNK-3324058f-6
0.475
EDG-MED-9fc99cca-3
0.475
EDJ-MED-eb111c00-4
0.475
EDG-MED-e300b289-1
0.471
PET-UNK-c671f938-1
0.471
PET-UNK-c671f938-5
0.471
EDJ-MED-e69ed63d-15
0.468
EDJ-MED-e69ed63d-9
0.468
EDJ-MED-e69ed63d-7
0.468