Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2c(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)cncc2c1 |
MW: | 558.08 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 137.3 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0875620367091422 |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | 2021-10-28 |
Hetero_hetero
EDJ-MED-7889e8da-6
1.000
EDJ-MED-378a25ea-11
0.850
EDJ-MED-7889e8da-4
0.825
EDJ-MED-be9e6f63-4
0.825
MAT-POS-c7726e07-8
0.806
MAT-POS-c7726e07-7
0.806
EDJ-MED-378a25ea-25
0.806
EDJ-MED-be9e6f63-3
0.806
EDJ-MED-378a25ea-21
0.798
MAT-POS-5c19d660-1
0.796
EDJ-MED-378a25ea-10
0.779
EDJ-MED-7889e8da-2
0.777
EDJ-MED-be9e6f63-2
0.777
MAT-POS-22373164-1
0.774
MAT-POS-22373164-2
0.774
EDJ-MED-378a25ea-23
0.774
EDJ-MED-4f4dd660-2
0.774
EDJ-MED-ede277f6-12
0.771
EDJ-MED-be9e6f63-1
0.771
EDJ-MED-378a25ea-1
0.764
EDJ-MED-378a25ea-18
0.764
EDJ-MED-378a25ea-33
0.761
EDJ-MED-4f4dd660-4
0.759
MAT-POS-22373164-3
0.759
EDJ-MED-378a25ea-7
0.757
EDJ-MED-378a25ea-15
0.748
MAT-POS-e194df51-1
0.748
MAT-POS-dc2604c4-1
0.748
MAT-POS-e194df51-2
0.748
MAT-POS-22373164-4
0.743
ALP-POS-6f6ae286-4
0.738
EDJ-MED-378a25ea-27
0.736
EDJ-MED-378a25ea-12
0.736
EDJ-MED-4f4dd660-6
0.730
PET-UNK-c6bcc80b-1
0.727
EDJ-MED-378a25ea-4
0.727
PET-UNK-c6bcc80b-8
0.727
EDJ-MED-378a25ea-13
0.723
EDJ-MED-378a25ea-17
0.721
MAT-POS-4223bc15-12
0.710
PET-UNK-19e211a9-5
0.709
PET-UNK-19e211a9-6
0.709
EDJ-MED-378a25ea-3
0.708
EDJ-MED-378a25ea-29
0.708
EDJ-MED-378a25ea-31
0.708
EDJ-MED-378a25ea-22
0.703
MAT-POS-b4d6b7fc-9
0.701
MAT-POS-81ae2990-9
0.701
EDJ-MED-378a25ea-26
0.700
MAT-POS-e36d57d9-1
0.700
MAT-POS-2e8b2191-9
0.700
MAT-POS-5cd9ea36-5
0.697
MAT-POS-5cd9ea36-6
0.694
MAT-POS-bf364d7a-9
0.694
MAT-POS-bf364d7a-10
0.694
PET-UNK-19e211a9-8
0.694
MAT-POS-13080fc6-3
0.691
EDJ-MED-ede277f6-2
0.691
EDJ-MED-378a25ea-24
0.688
JOH-SUS-07b743f6-3
0.685
PET-UNK-19e211a9-9
0.685
PET-UNK-19e211a9-10
0.685
MAT-POS-78ab8081-6
0.685
MAT-POS-97ec4bd1-2
0.685
ALP-POS-07e1ed01-2
0.682
PET-UNK-19e211a9-7
0.679
EDJ-MED-378a25ea-34
0.678
MAT-POS-bf364d7a-11
0.673
MAT-POS-bf364d7a-12
0.673
EDJ-MED-378a25ea-2
0.673
MAT-POS-78ab8081-4
0.673
MAT-POS-5cd9ea36-7
0.673
EDJ-MED-378a25ea-16
0.672
PET-UNK-19e211a9-1
0.670
MAT-POS-bfd29aac-1
0.670
EDJ-MED-0186a59b-3
0.667
EDJ-MED-378a25ea-8
0.667
EDJ-MED-7889e8da-5
0.667
EDJ-MED-378a25ea-28
0.661
PET-UNK-19e211a9-4
0.661
EDJ-MED-378a25ea-6
0.658
MAT-POS-777f5926-4
0.658
ALP-POS-07e1ed01-1
0.658
MAT-POS-dc2604c4-3
0.658
MAT-POS-777f5926-3
0.658
PET-UNK-615ad708-4
0.655
PET-UNK-615ad708-1
0.655
PET-UNK-19e211a9-3
0.655
MAT-POS-78ab8081-2
0.653
EDJ-MED-378a25ea-20
0.652
EDJ-MED-ede277f6-6
0.652
MAT-POS-bfd29aac-2
0.651
PET-UNK-94036022-8
0.651
PET-UNK-19e211a9-2
0.651
XIA-UNK-284f966f-1
0.651
PET-UNK-94036022-1
0.651
ALE-ALC-b4762a05-1
0.649
ALE-ALC-1b189c66-1
0.649
ALE-ALC-3d276b90-1
0.649
MAT-POS-13080fc6-1
0.646