Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2c(NC(=O)C3CN(CC(=O)NC4COC4)C(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 542.1 |
Fraction sp3: | 0.28 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 134.77 |
cLogP: | 1.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.866251492724819 |
Order Status | |
Ordered: | 2021-09-20 |
Synthesis Location: | enamine |
Shipped: | 2021-10-20 |
Oxetanes, thietanes
EDJ-MED-e69ed63d-5
1.000
EDJ-MED-e69ed63d-4
0.880
EDJ-MED-e69ed63d-10
0.863
EDJ-MED-0186a59b-7
0.812
MAT-POS-2e8b2191-12
0.812
EDJ-MED-d165ed91-4
0.796
EDJ-MED-c99b2211-4
0.796
EDJ-MED-e69ed63d-12
0.796
EDJ-MED-e69ed63d-8
0.788
EDJ-MED-e69ed63d-2
0.781
EDJ-MED-e69ed63d-6
0.771
EDJ-MED-e69ed63d-14
0.766
EDJ-MED-e69ed63d-16
0.766
EDJ-MED-c99b2211-3
0.766
EDJ-MED-e69ed63d-18
0.752
EDJ-MED-43f8f7d6-6
0.743
EDJ-MED-41558c53-12
0.724
PET-UNK-c671f938-3
0.721
EDJ-MED-41558c53-10
0.721
PET-UNK-c671f938-7
0.721
EDJ-MED-c4e42105-1
0.708
EDJ-MED-41558c53-14
0.688
EDG-MED-e300b289-3
0.685
EDJ-MED-41558c53-8
0.682
EDJ-MED-e69ed63d-3
0.673
EDJ-MED-41558c53-6
0.673
PET-UNK-3324058f-3
0.673
PET-UNK-3324058f-7
0.673
LUO-POS-edefcc0e-1
0.667
EDJ-MED-0186a59b-6
0.667
LUO-POS-74179f4f-1
0.667
EDJ-MED-e69ed63d-9
0.661
MAT-POS-b4d6b7fc-2
0.655
EDJ-MED-43f8f7d6-4
0.636
EDJ-MED-75baa495-1
0.632
EDG-MED-e300b289-2
0.631
EDJ-MED-ce467fd5-1
0.631
EDJ-MED-827e7cb4-3
0.631
EDG-MED-e300b289-1
0.627
RAL-THA-a9c31980-2
0.625
MAT-POS-c7726e07-2
0.622
EDJ-MED-0186a59b-5
0.622
MAT-POS-c7726e07-1
0.622
MAT-POS-e119ab4f-1
0.622
MAT-POS-b4d6b7fc-4
0.621
EDJ-MED-e69ed63d-11
0.619
EDJ-MED-d165ed91-1
0.616
EDJ-MED-41558c53-2
0.616
EDJ-MED-d165ed91-5
0.614
EDJ-MED-e69ed63d-7
0.605
EDJ-MED-968bafd9-2
0.602
EDJ-MED-d165ed91-6
0.600
EDJ-MED-e69ed63d-1
0.600
EDJ-MED-41558c53-4
0.595
EDJ-MED-d165ed91-2
0.595
MAT-POS-a54ce14d-2
0.591
EDJ-MED-015fb6b4-2
0.591
MAT-POS-acfe5bae-2
0.591
MAT-POS-a54ce14d-3
0.591
EDJ-MED-e69ed63d-13
0.590
EDJ-MED-e69ed63d-15
0.590
EDJ-MED-41558c53-11
0.587
RAL-THA-a9c31980-4
0.584
EDJ-MED-c99b2211-2
0.584
EDJ-MED-41558c53-7
0.584
PET-UNK-f860268d-2
0.583
PET-UNK-f860268d-5
0.583
JOH-UNI-d2a12aa9-2
0.580
PET-UNK-c6bcc80b-3
0.580
PET-UNK-c6bcc80b-10
0.580
EDJ-MED-41558c53-9
0.579
PET-UNK-c671f938-4
0.578
PET-UNK-c671f938-8
0.578
EDJ-MED-e69ed63d-17
0.576
PET-UNK-c671f938-6
0.574
PET-UNK-c671f938-2
0.574
EDG-MED-9fc99cca-2
0.573
LUO-POS-868e8996-3
0.570
RAL-THA-a9c31980-1
0.570
LUO-POS-868e8996-4
0.570
EDJ-MED-ede277f6-8
0.567
EDJ-MED-43f8f7d6-3
0.565
RAL-THA-a9c31980-3
0.565
JOH-UNI-6b98e24c-1
0.565
MAT-POS-2e8b2191-11
0.563
EDJ-MED-c4e42105-2
0.562
RAL-THA-a9c31980-5
0.560
RAL-THA-a9c31980-6
0.560
JOH-UNI-d2a12aa9-4
0.557
EDG-MED-ee636701-1
0.556
EDJ-MED-c99b2211-1
0.556
PET-UNK-c7ac4d9e-1
0.553
RAL-THA-5e0a6f1a-1
0.553
PET-UNK-c7ac4d9e-2
0.553
PET-UNK-3324058f-4
0.552
PET-UNK-3324058f-8
0.552
EDJ-MED-41558c53-13
0.549
EDJ-MED-eb111c00-4
0.549
MAT-POS-c7726e07-4
0.548
MAT-POS-e119ab4f-2
0.548