Molecular Properties | |
SMILES: | CC(C)S(=O)(=O)Nc1ccc2c(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)cncc2c1 |
MW: | 601.12 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 149.33 |
cLogP: | 4.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0897713307867812 |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Hetero_hetero
EDJ-MED-be9e6f63-3
MAT-POS-c7726e07-7
0.864
EDJ-MED-378a25ea-25
0.864
MAT-POS-c7726e07-8
0.864
EDJ-MED-be9e6f63-3
0.864
MAT-POS-22373164-2
0.848
MAT-POS-22373164-4
0.815
EDJ-MED-be9e6f63-4
0.794
EDJ-MED-7889e8da-4
0.794
EDJ-MED-378a25ea-18
0.771
EDJ-MED-378a25ea-9
0.759
EDJ-MED-7889e8da-6
0.759
EDJ-MED-378a25ea-11
0.736
EDJ-MED-7889e8da-2
0.734
EDJ-MED-be9e6f63-2
0.734
EDJ-MED-be9e6f63-1
0.730
EDJ-MED-378a25ea-1
0.723
EDJ-MED-378a25ea-21
0.723
MAT-POS-2e8b2191-9
0.723
EDJ-MED-378a25ea-26
0.723
MAT-POS-e36d57d9-1
0.723
MAT-POS-e194df51-1
0.722
MAT-POS-e194df51-2
0.722
MAT-POS-dc2604c4-1
0.722
EDJ-MED-378a25ea-23
0.717
MAT-POS-22373164-1
0.717
EDJ-MED-4f4dd660-2
0.717
EDJ-MED-378a25ea-7
0.717
EDJ-MED-4f4dd660-4
0.704
ALP-POS-6f6ae286-4
0.699
EDJ-MED-378a25ea-27
0.698
EDJ-MED-378a25ea-15
0.695
EDJ-MED-4f4dd660-6
0.692
EDJ-MED-378a25ea-33
0.692
EDJ-MED-378a25ea-4
0.690
MAT-POS-4223bc15-12
0.688
PET-UNK-19e211a9-5
0.687
EDJ-MED-378a25ea-13
0.686
EDJ-MED-378a25ea-3
0.686
EDJ-MED-378a25ea-29
0.686
EDJ-MED-378a25ea-31
0.686
EDJ-MED-378a25ea-17
0.684
MAT-POS-b4d6b7fc-9
0.679
MAT-POS-81ae2990-9
0.679
JOH-SUS-07b743f6-3
0.679
MAT-POS-97ec4bd1-2
0.678
MAT-POS-5cd9ea36-5
0.675
EDJ-MED-378a25ea-10
0.675
PET-UNK-c6bcc80b-8
0.675
PET-UNK-c6bcc80b-1
0.675
MAT-POS-bf364d7a-9
0.672
PET-UNK-19e211a9-6
0.672
MAT-POS-5cd9ea36-6
0.672
MAT-POS-bf364d7a-10
0.672
EDJ-MED-378a25ea-12
0.667
MAT-POS-78ab8081-6
0.664
PET-UNK-19e211a9-10
0.664
PET-UNK-19e211a9-9
0.664
EDJ-MED-378a25ea-20
0.661
PET-UNK-19e211a9-8
0.658
EDJ-MED-378a25ea-2
0.653
EDJ-MED-378a25ea-22
0.653
EDJ-MED-378a25ea-24
0.653
MAT-POS-bf364d7a-12
0.653
MAT-POS-5cd9ea36-7
0.653
MAT-POS-78ab8081-4
0.653
MAT-POS-bf364d7a-11
0.653
MAT-POS-78ab8081-2
0.648
EDJ-MED-378a25ea-8
0.647
ALP-POS-07e1ed01-2
0.647
PET-UNK-19e211a9-7
0.644
EDJ-MED-378a25ea-28
0.642
EDJ-MED-378a25ea-16
0.639
EDJ-MED-378a25ea-6
0.639
MAT-POS-777f5926-3
0.638
MAT-POS-777f5926-4
0.638
ALP-POS-07e1ed01-1
0.638
MAT-POS-dc2604c4-3
0.638
PET-UNK-615ad708-4
0.635
PET-UNK-19e211a9-3
0.635
PET-UNK-615ad708-1
0.635
PET-UNK-94036022-1
0.632
PET-UNK-94036022-8
0.632
XIA-UNK-284f966f-1
0.632
EDJ-MED-378a25ea-34
0.631
EDJ-MED-378a25ea-30
0.631
EDJ-MED-378a25ea-32
0.629
MAT-POS-13080fc6-1
0.627
MAT-POS-13080fc6-3
0.627
PET-UNK-19e211a9-4
0.626
EDJ-MED-378a25ea-14
0.626
MAT-POS-bfd29aac-1
0.621
PET-UNK-19e211a9-1
0.621
EDJ-MED-378a25ea-19
0.618
EDJ-MED-378a25ea-5
0.618
PET-UNK-19e211a9-2
0.617
MAT-POS-bfd29aac-2
0.617
JOH-SUS-07b743f6-6
0.617
ALE-ALC-3d276b90-1
0.615
MAT-POS-81ae2990-8
0.615
ALE-ALC-b4762a05-1
0.615