Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)CCOc1ccc2cncc(NC(=O)C3CN(S(=O)(=O)CC4(C#N)CC4)Cc4ccc(Cl)cc43)c2c1 |
| MW: | 567.17 |
| Fraction sp3: | 0.39 |
| HBA: | 7 |
| HBD: | 1 |
| Rotatable Bonds: | 9 |
| TPSA: | 115.63 |
| cLogP: | 4.0 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 0.117490881179233 |
| Order Status | |
| Ordered: | 2021-10-05 |
| Synthesis Location: | enamine |
| Shipped: | 2021-11-17 |
Hetero_hetero
EDJ-MED-378a25ea-30
0.805
MAT-POS-83f73d0a-2
0.802
MAT-POS-78ab8081-1
0.802
PET-UNK-19e211a9-9
0.800
MAT-POS-78ab8081-6
0.752
PET-UNK-19e211a9-10
0.752
MAT-POS-b4d6b7fc-9
0.723
MAT-POS-81ae2990-9
0.723
EDJ-MED-378a25ea-10
0.719
EDJ-MED-378a25ea-8
0.718
EDJ-MED-378a25ea-12
0.711
EDJ-MED-378a25ea-24
0.709
EDJ-MED-378a25ea-26
0.707
MAT-POS-e36d57d9-1
0.707
MAT-POS-2e8b2191-9
0.707
MAT-POS-97ec4bd1-2
0.707
PET-UNK-19e211a9-8
0.701
EDJ-MED-378a25ea-2
0.695
MAT-POS-78ab8081-4
0.695
EDJ-MED-378a25ea-6
0.695
EDJ-MED-378a25ea-22
0.695
EDJ-MED-378a25ea-28
0.683
EDJ-MED-378a25ea-16
0.680
MAT-POS-dc2604c4-1
0.675
MAT-POS-e194df51-1
0.675
MAT-POS-e194df51-2
0.675
EDJ-MED-378a25ea-20
0.675
PET-UNK-19e211a9-6
0.672
PET-UNK-19e211a9-7
0.672
EDJ-MED-378a25ea-34
0.672
EDJ-MED-be9e6f63-1
0.669
EDJ-MED-378a25ea-14
0.667
EDJ-MED-be9e6f63-4
0.664
EDJ-MED-7889e8da-4
0.664
EDJ-MED-378a25ea-5
0.659
EDJ-MED-378a25ea-19
0.659
PET-UNK-19e211a9-5
0.658
EDJ-MED-be9e6f63-3
0.655
EDJ-MED-378a25ea-25
0.655
MAT-POS-c7726e07-7
0.655
MAT-POS-c7726e07-8
0.655
EDJ-MED-378a25ea-9
0.653
EDJ-MED-7889e8da-6
0.653
MAT-POS-22373164-3
0.648
EDJ-MED-378a25ea-11
0.647
EDJ-MED-378a25ea-29
0.645
MAT-POS-22373164-2
0.645
EDJ-MED-378a25ea-7
0.645
MAT-POS-22373164-1
0.645
MAT-POS-4223bc15-12
0.644
EDJ-MED-378a25ea-32
0.643
EDJ-MED-378a25ea-18
0.636
PET-UNK-c6bcc80b-1
0.634
PET-UNK-c6bcc80b-8
0.634
MAT-POS-5cd9ea36-5
0.633
MAT-POS-5cd9ea36-6
0.631
MAT-POS-bf364d7a-9
0.631
MAT-POS-bf364d7a-10
0.631
EDJ-MED-be9e6f63-2
0.630
EDJ-MED-7889e8da-2
0.630
MAT-POS-13080fc6-3
0.628
EDJ-MED-4f4dd660-6
0.624
EDJ-MED-378a25ea-1
0.623
EDJ-MED-378a25ea-21
0.623
MAT-POS-22373164-4
0.621
EDJ-MED-378a25ea-23
0.618
EDJ-MED-4f4dd660-2
0.618
MAT-POS-81ae2990-8
0.617
EDJ-MED-378a25ea-15
0.614
MAT-POS-5cd9ea36-7
0.613
MAT-POS-bf364d7a-11
0.613
MAT-POS-bf364d7a-12
0.613
MAT-POS-81ae2990-6
0.612
PET-UNK-615ad708-4
0.608
PET-UNK-615ad708-1
0.608
PET-UNK-19e211a9-3
0.608
JOH-SUS-07b743f6-3
0.608
EDJ-MED-4f4dd660-4
0.608
EDJ-MED-378a25ea-4
0.608
ALP-POS-07e1ed01-2
0.607
EDJ-MED-378a25ea-27
0.603
ALP-POS-6f6ae286-4
0.602
MAT-POS-13080fc6-1
0.602
PET-UNK-19e211a9-4
0.600
MAT-POS-81ae2990-3
0.600
EDJ-MED-378a25ea-33
0.598
MAT-POS-dc2604c4-3
0.598
MAT-POS-777f5926-3
0.598
MAT-POS-777f5926-4
0.598
ALP-POS-07e1ed01-1
0.598
JOH-UNI-2440d4f3-2
0.595
MAT-POS-b4d6b7fc-8
0.595
PET-UNK-19e211a9-1
0.595
MAT-POS-bfd29aac-1
0.595
MAT-POS-81ae2990-7
0.595
EDJ-MED-378a25ea-13
0.594
MAT-POS-97ec4bd1-1
0.592
ALE-ALC-159be365-1
0.592
PET-UNK-94036022-8
0.592
PET-UNK-19e211a9-2
0.592