Molecular Properties | |
SMILES: | CC(C)(O)c1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)c2c1 |
MW: | 538.14 |
Fraction sp3: | 0.37 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 123.39 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.13682315254765 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-11-03 |
Hetero_hetero
MAT-POS-5c19d660-2
0.810
MAT-POS-97ec4bd1-1
0.802
MAT-POS-b4d6b7fc-9
0.779
MAT-POS-81ae2990-9
0.779
MAT-POS-83f73d0a-1
0.778
MAT-POS-666635d5-2
0.778
EDJ-MED-378a25ea-26
0.776
MAT-POS-e36d57d9-1
0.776
MAT-POS-2e8b2191-9
0.776
EDJ-MED-378a25ea-10
0.774
MAT-POS-c88128cb-1
0.769
EDJ-MED-378a25ea-12
0.764
EDJ-MED-378a25ea-24
0.761
PET-UNK-19e211a9-10
0.759
MAT-POS-78ab8081-6
0.759
PET-UNK-19e211a9-9
0.759
EDJ-MED-378a25ea-2
0.745
EDJ-MED-378a25ea-22
0.745
MAT-POS-78ab8081-4
0.745
MAT-POS-c88128cb-2
0.743
EDJ-MED-378a25ea-8
0.739
EDJ-MED-378a25ea-20
0.739
EDJ-MED-378a25ea-28
0.732
EDJ-MED-378a25ea-6
0.730
MAT-POS-e194df51-2
0.726
MAT-POS-e194df51-1
0.726
MAT-POS-dc2604c4-1
0.726
EDJ-MED-378a25ea-34
0.719
EDJ-MED-378a25ea-30
0.719
EDJ-MED-be9e6f63-4
0.714
EDJ-MED-7889e8da-4
0.714
EDJ-MED-378a25ea-14
0.713
EDJ-MED-378a25ea-16
0.713
MAT-POS-78ab8081-2
0.707
EDJ-MED-378a25ea-5
0.704
EDJ-MED-378a25ea-19
0.704
EDJ-MED-be9e6f63-3
0.703
MAT-POS-c7726e07-8
0.703
MAT-POS-c7726e07-7
0.703
EDJ-MED-378a25ea-25
0.703
PET-UNK-c6bcc80b-1
0.693
PET-UNK-c6bcc80b-8
0.693
MAT-POS-4223bc15-12
0.691
PET-UNK-19e211a9-5
0.690
PET-UNK-19e211a9-6
0.690
PET-UNK-19e211a9-7
0.690
PET-UNK-19e211a9-8
0.690
MAT-POS-22373164-2
0.690
EDJ-MED-378a25ea-32
0.686
EDJ-MED-7889e8da-6
0.685
EDJ-MED-378a25ea-9
0.685
EDJ-MED-378a25ea-1
0.681
EDJ-MED-378a25ea-18
0.681
MAT-POS-5cd9ea36-5
0.679
MAT-POS-22373164-3
0.678
EDJ-MED-7889e8da-2
0.676
EDJ-MED-be9e6f63-2
0.676
EDJ-MED-378a25ea-23
0.675
EDJ-MED-4f4dd660-2
0.675
EDJ-MED-be9e6f63-1
0.673
MAT-POS-5cd9ea36-7
0.670
MAT-POS-bf364d7a-11
0.670
MAT-POS-bf364d7a-12
0.670
PET-UNK-19e211a9-1
0.667
MAT-POS-bfd29aac-1
0.667
EDJ-MED-378a25ea-21
0.667
MAT-POS-22373164-4
0.664
EDJ-MED-378a25ea-11
0.664
MAT-POS-22373164-1
0.661
EDJ-MED-378a25ea-7
0.661
MAT-POS-5cd9ea36-6
0.661
MAT-POS-bf364d7a-9
0.661
MAT-POS-bf364d7a-10
0.661
MAT-POS-13080fc6-3
0.658
JOH-SUS-07b743f6-3
0.652
EDJ-MED-4f4dd660-4
0.650
ALP-POS-07e1ed01-2
0.649
MAT-POS-97ec4bd1-3
0.649
MAT-POS-81ae2990-8
0.646
EDJ-MED-378a25ea-17
0.644
EDJ-MED-378a25ea-27
0.644
ALP-POS-6f6ae286-4
0.643
MAT-POS-81ae2990-3
0.643
PET-UNK-19e211a9-4
0.643
EDJ-MED-378a25ea-15
0.642
MAT-POS-777f5926-3
0.640
MAT-POS-777f5926-4
0.640
ALP-POS-07e1ed01-1
0.640
MAT-POS-dc2604c4-3
0.640
EDJ-MED-4f4dd660-6
0.639
EDJ-MED-378a25ea-33
0.639
PET-UNK-615ad708-4
0.637
PET-UNK-615ad708-1
0.637
PET-UNK-19e211a9-3
0.637
EDJ-MED-378a25ea-4
0.636
XIA-UNK-284f966f-1
0.634
PET-UNK-94036022-1
0.634
MAT-POS-bfd29aac-2
0.634
PET-UNK-94036022-8
0.634
PET-UNK-19e211a9-2
0.634