Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1ccc2c(NC(=O)[C@H]3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)cncc2c1 |
MW: | 573.09 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 149.33 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.742254405734093 |
Order Status | |
Ordered: | 2021-10-04 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Hetero_hetero
MAT-POS-c7726e07-8
1.000
EDJ-MED-378a25ea-25
1.000
EDJ-MED-be9e6f63-3
1.000
MAT-POS-22373164-2
0.881
MAT-POS-22373164-3
0.864
MAT-POS-22373164-4
0.846
EDJ-MED-7889e8da-4
0.827
EDJ-MED-be9e6f63-4
0.827
EDJ-MED-378a25ea-18
0.817
EDJ-MED-378a25ea-26
0.817
MAT-POS-e36d57d9-1
0.817
MAT-POS-2e8b2191-9
0.817
EDJ-MED-7889e8da-6
0.806
EDJ-MED-378a25ea-9
0.806
EDJ-MED-378a25ea-21
0.766
EDJ-MED-378a25ea-11
0.764
EDJ-MED-7889e8da-2
0.762
EDJ-MED-be9e6f63-2
0.762
MAT-POS-22373164-1
0.759
EDJ-MED-4f4dd660-2
0.759
EDJ-MED-378a25ea-23
0.759
EDJ-MED-be9e6f63-1
0.757
MAT-POS-dc2604c4-1
0.750
MAT-POS-e194df51-1
0.750
MAT-POS-e194df51-2
0.750
EDJ-MED-378a25ea-1
0.750
EDJ-MED-4f4dd660-4
0.745
PET-UNK-c6bcc80b-1
0.745
PET-UNK-c6bcc80b-8
0.745
EDJ-MED-378a25ea-7
0.743
EDJ-MED-378a25ea-33
0.732
EDJ-MED-378a25ea-13
0.726
ALP-POS-6f6ae286-4
0.725
EDJ-MED-378a25ea-27
0.723
EDJ-MED-378a25ea-15
0.719
EDJ-MED-4f4dd660-6
0.717
EDJ-MED-378a25ea-10
0.716
EDJ-MED-378a25ea-4
0.714
MAT-POS-4223bc15-12
0.713
PET-UNK-19e211a9-5
0.712
EDJ-MED-378a25ea-29
0.711
EDJ-MED-378a25ea-31
0.711
EDJ-MED-378a25ea-17
0.708
MAT-POS-81ae2990-9
0.704
MAT-POS-b4d6b7fc-9
0.704
MAT-POS-97ec4bd1-2
0.703
MAT-POS-5cd9ea36-5
0.700
EDJ-MED-378a25ea-20
0.699
PET-UNK-19e211a9-6
0.696
MAT-POS-5cd9ea36-6
0.696
MAT-POS-bf364d7a-9
0.696
MAT-POS-bf364d7a-10
0.696
EDJ-MED-378a25ea-3
0.696
MAT-POS-13080fc6-1
0.694
EDJ-MED-378a25ea-12
0.691
EDJ-MED-378a25ea-22
0.690
EDJ-MED-378a25ea-24
0.690
JOH-SUS-07b743f6-3
0.688
MAT-POS-78ab8081-6
0.688
PET-UNK-19e211a9-9
0.688
PET-UNK-19e211a9-10
0.688
MAT-POS-b4d6b7fc-1
0.682
PET-UNK-19e211a9-8
0.681
EDJ-MED-378a25ea-28
0.678
MAT-POS-78ab8081-4
0.675
MAT-POS-bf364d7a-11
0.675
MAT-POS-bf364d7a-12
0.675
MAT-POS-5cd9ea36-7
0.675
EDJ-MED-378a25ea-2
0.675
ALP-POS-07e1ed01-2
0.670
EDJ-MED-378a25ea-8
0.670
EDJ-MED-378a25ea-34
0.667
PET-UNK-19e211a9-7
0.667
MAT-POS-13080fc6-3
0.664
EDJ-MED-378a25ea-14
0.661
EDJ-MED-378a25ea-16
0.661
EDJ-MED-378a25ea-6
0.661
ALP-POS-07e1ed01-1
0.661
MAT-POS-dc2604c4-3
0.661
MAT-POS-777f5926-4
0.661
MAT-POS-777f5926-3
0.661
MAT-POS-78ab8081-2
0.655
XIA-UNK-284f966f-1
0.655
PET-UNK-94036022-1
0.655
PET-UNK-94036022-8
0.655
EDJ-MED-378a25ea-30
0.653
EDJ-MED-378a25ea-32
0.650
PET-UNK-19e211a9-4
0.649
MAT-POS-bfd29aac-1
0.643
PET-UNK-615ad708-4
0.643
PET-UNK-19e211a9-1
0.643
PET-UNK-19e211a9-3
0.643
PET-UNK-615ad708-1
0.643
MAT-POS-5c19d660-1
0.640
MAT-POS-bfd29aac-2
0.640
JOH-SUS-07b743f6-6
0.640
PET-UNK-19e211a9-2
0.640
EDJ-MED-378a25ea-5
0.639
EDJ-MED-378a25ea-19
0.639
ALE-ALC-159be365-1
0.638