Molecular Properties | |
SMILES: | CCS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)cncc2c1 |
MW: | 587.11 |
Fraction sp3: | 0.35 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 149.33 |
cLogP: | 3.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.0500000007450581 |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | 2021-11-17 |
Hetero_hetero
EDJ-MED-be9e6f63-3
MAT-POS-c7726e07-7
0.881
EDJ-MED-378a25ea-25
0.881
MAT-POS-c7726e07-8
0.881
EDJ-MED-be9e6f63-3
0.881
MAT-POS-22373164-3
0.848
MAT-POS-22373164-4
0.830
EDJ-MED-be9e6f63-4
0.810
EDJ-MED-7889e8da-4
0.810
EDJ-MED-378a25ea-18
0.785
EDJ-MED-378a25ea-9
0.774
EDJ-MED-7889e8da-6
0.774
EDJ-MED-378a25ea-11
0.750
EDJ-MED-7889e8da-2
0.748
EDJ-MED-be9e6f63-2
0.748
EDJ-MED-be9e6f63-1
0.743
EDJ-MED-378a25ea-1
0.736
EDJ-MED-378a25ea-21
0.736
MAT-POS-2e8b2191-9
0.736
EDJ-MED-378a25ea-26
0.736
MAT-POS-e36d57d9-1
0.736
MAT-POS-e194df51-1
0.736
MAT-POS-e194df51-2
0.736
MAT-POS-dc2604c4-1
0.736
EDJ-MED-378a25ea-23
0.730
MAT-POS-22373164-1
0.730
EDJ-MED-4f4dd660-2
0.730
EDJ-MED-378a25ea-7
0.730
EDJ-MED-4f4dd660-4
0.717
ALP-POS-6f6ae286-4
0.712
EDJ-MED-378a25ea-27
0.711
EDJ-MED-378a25ea-15
0.707
EDJ-MED-4f4dd660-6
0.704
EDJ-MED-378a25ea-33
0.704
MAT-POS-5cd9ea36-5
0.703
EDJ-MED-378a25ea-4
0.702
MAT-POS-4223bc15-12
0.700
PET-UNK-19e211a9-5
0.699
EDJ-MED-378a25ea-13
0.698
EDJ-MED-378a25ea-29
0.698
EDJ-MED-378a25ea-31
0.698
EDJ-MED-378a25ea-17
0.696
MAT-POS-b4d6b7fc-9
0.691
MAT-POS-81ae2990-9
0.691
MAT-POS-97ec4bd1-2
0.690
EDJ-MED-378a25ea-10
0.688
PET-UNK-c6bcc80b-8
0.687
PET-UNK-c6bcc80b-1
0.687
MAT-POS-bf364d7a-9
0.684
PET-UNK-19e211a9-6
0.684
MAT-POS-5cd9ea36-6
0.684
MAT-POS-bf364d7a-10
0.684
EDJ-MED-378a25ea-3
0.684
EDJ-MED-378a25ea-12
0.679
JOH-SUS-07b743f6-3
0.676
MAT-POS-78ab8081-6
0.675
PET-UNK-19e211a9-10
0.675
PET-UNK-19e211a9-9
0.675
EDJ-MED-378a25ea-20
0.672
PET-UNK-19e211a9-8
0.670
EDJ-MED-378a25ea-2
0.664
EDJ-MED-378a25ea-22
0.664
EDJ-MED-378a25ea-24
0.664
MAT-POS-bf364d7a-12
0.664
MAT-POS-5cd9ea36-7
0.664
MAT-POS-78ab8081-4
0.664
MAT-POS-bf364d7a-11
0.664
EDJ-MED-378a25ea-8
0.658
ALP-POS-07e1ed01-2
0.658
PET-UNK-19e211a9-7
0.655
EDJ-MED-378a25ea-28
0.653
EDJ-MED-378a25ea-16
0.650
EDJ-MED-378a25ea-6
0.650
MAT-POS-777f5926-3
0.649
MAT-POS-777f5926-4
0.649
ALP-POS-07e1ed01-1
0.649
MAT-POS-dc2604c4-3
0.649
MAT-POS-78ab8081-2
0.645
PET-UNK-94036022-1
0.643
PET-UNK-94036022-8
0.643
XIA-UNK-284f966f-1
0.643
EDJ-MED-378a25ea-34
0.642
EDJ-MED-378a25ea-30
0.642
EDJ-MED-378a25ea-32
0.639
ALE-ALC-e1a61ec1-1
0.638
MAT-POS-13080fc6-1
0.638
MAT-POS-13080fc6-3
0.638
PET-UNK-19e211a9-4
0.637
EDJ-MED-378a25ea-14
0.636
PET-UNK-615ad708-4
0.632
PET-UNK-19e211a9-3
0.632
PET-UNK-615ad708-1
0.632
MAT-POS-bfd29aac-1
0.632
PET-UNK-19e211a9-1
0.632
PET-UNK-19e211a9-2
0.628
MAT-POS-bfd29aac-2
0.628
JOH-SUS-07b743f6-6
0.628
EDJ-MED-378a25ea-19
0.628
EDJ-MED-378a25ea-5
0.628
ALE-ALC-3d276b90-1
0.626
MAT-POS-81ae2990-8
0.626