Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2c(NC(=O)C3CN(CC(=O)NCC(F)(F)F)C(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 568.08 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 125.54 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.287463634965831 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-20 |
high halogen content (>3)
EDJ-MED-e69ed63d-8
0.833
EDJ-MED-e69ed63d-14
0.810
EDJ-MED-e69ed63d-16
0.810
EDJ-MED-e69ed63d-12
0.806
EDJ-MED-c99b2211-4
0.806
EDJ-MED-d165ed91-4
0.806
EDJ-MED-0186a59b-7
0.804
MAT-POS-2e8b2191-12
0.804
EDJ-MED-e69ed63d-17
0.781
EDJ-MED-e69ed63d-2
0.774
EDJ-MED-e69ed63d-4
0.766
EDJ-MED-c99b2211-3
0.759
EDJ-MED-d165ed91-3
0.752
EDJ-MED-e69ed63d-5
0.752
EDJ-MED-e69ed63d-10
0.752
RAL-THA-a9c31980-8
0.736
EDG-MED-e300b289-2
0.733
EDJ-MED-41558c53-12
0.717
EDJ-MED-41558c53-10
0.714
PET-UNK-c671f938-3
0.714
PET-UNK-c671f938-7
0.714
EDJ-MED-41558c53-14
0.682
EDG-MED-e300b289-3
0.679
EDJ-MED-0186a59b-6
0.676
LUO-POS-edefcc0e-1
0.676
LUO-POS-74179f4f-1
0.676
EDJ-MED-41558c53-8
0.676
EDG-MED-e300b289-1
0.667
EDJ-MED-e69ed63d-7
0.658
PET-UNK-3324058f-3
0.652
PET-UNK-3324058f-7
0.652
EDJ-MED-41558c53-6
0.652
EDJ-MED-e69ed63d-11
0.643
EDJ-MED-e69ed63d-13
0.640
EDJ-MED-e69ed63d-15
0.640
MAT-POS-b4d6b7fc-2
0.635
MAT-POS-e119ab4f-1
0.631
EDJ-MED-0186a59b-5
0.631
MAT-POS-c7726e07-2
0.631
MAT-POS-c7726e07-1
0.631
MAT-POS-b4d6b7fc-4
0.629
EDJ-MED-41558c53-2
0.625
EDJ-MED-d165ed91-1
0.625
EDJ-MED-ce467fd5-1
0.625
EDJ-MED-827e7cb4-3
0.625
EDJ-MED-d165ed91-5
0.623
EDJ-MED-d165ed91-6
0.609
EDJ-MED-e69ed63d-1
0.609
LUO-POS-868e8996-3
0.607
LUO-POS-868e8996-4
0.607
RAL-THA-a9c31980-1
0.607
EDJ-MED-41558c53-4
0.603
EDJ-MED-d165ed91-2
0.603
EDJ-MED-968bafd9-2
0.597
RAL-THA-a9c31980-5
0.596
RAL-THA-a9c31980-6
0.596
EDJ-MED-41558c53-11
0.596
EDJ-MED-e69ed63d-3
0.595
EDJ-MED-c99b2211-2
0.593
RAL-THA-a9c31980-4
0.593
EDJ-MED-41558c53-7
0.593
EDJ-MED-41558c53-9
0.589
PET-UNK-c6bcc80b-10
0.588
JOH-UNI-d2a12aa9-2
0.588
PET-UNK-c6bcc80b-3
0.588
MAT-POS-a54ce14d-3
0.586
EDJ-MED-015fb6b4-2
0.586
MAT-POS-a54ce14d-2
0.586
MAT-POS-acfe5bae-2
0.586
EDJ-MED-e69ed63d-6
0.585
EDJ-MED-e69ed63d-9
0.585
PET-UNK-c671f938-6
0.583
PET-UNK-c671f938-2
0.583
RAL-THA-a9c31980-9
0.581
PET-UNK-f860268d-5
0.564
PET-UNK-f860268d-2
0.564
EDJ-MED-43f8f7d6-3
0.560
RAL-THA-a9c31980-3
0.560
JOH-UNI-6b98e24c-1
0.560
PET-UNK-c671f938-8
0.559
PET-UNK-c671f938-4
0.559
EDJ-MED-41558c53-13
0.558
EDJ-MED-c4e42105-2
0.557
MAT-POS-c7726e07-3
0.557
MAT-POS-c7726e07-4
0.557
MAT-POS-e119ab4f-2
0.557
JOH-UNI-d2a12aa9-4
0.553
PET-UNK-c671f938-5
0.553
PET-UNK-c671f938-1
0.553
EDJ-MED-c99b2211-1
0.551
EDJ-MED-ede277f6-6
0.549
RAL-THA-5e0a6f1a-1
0.548
PET-UNK-c7ac4d9e-1
0.548
PET-UNK-c7ac4d9e-2
0.548
EDJ-MED-43f8f7d6-4
0.547
EDJ-MED-43f8f7d6-6
0.546
MAT-POS-2e8b2191-11
0.545
EDJ-MED-eb111c00-4
0.544
EDJ-MED-41558c53-5
0.542
PET-UNK-3324058f-2
0.542