Molecule Details
| Molecular Properties | |
| SMILES: | COC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(C(C)(C)O)cc34)C2)CC1 |
| MW: | 543.16 |
| Fraction sp3: | 0.41 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 7 |
| TPSA: | 108.83 |
| cLogP: | 4.16 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Activity Data | |
| IC50 (µM) - Fluorescence: | 1.76705099583391 |
| Order Status | |
| Ordered: | 2021-09-30 |
| Synthesis Location: | enamine |
| Shipped: | 2021-11-10 |
Hetero_hetero
MAT-POS-5c19d660-2
0.802
MAT-POS-97ec4bd1-2
0.802
MAT-POS-81ae2990-6
0.790
MAT-POS-83f73d0a-1
0.771
MAT-POS-666635d5-2
0.771
MAT-POS-c88128cb-1
0.762
EDJ-MED-76744c27-4
0.738
ALF-EVA-07677224-7
0.738
MAT-POS-bf364d7a-7
0.738
MAT-POS-bf364d7a-8
0.738
MAT-POS-c88128cb-2
0.721
MAT-POS-dc2604c4-2
0.694
MAT-POS-81ae2990-5
0.664
MAT-POS-81ae2990-4
0.640
MAT-POS-81ae2990-3
0.637
PET-UNK-19e211a9-9
0.632
MAT-POS-78ab8081-6
0.619
PET-UNK-19e211a9-10
0.619
MAT-POS-2e8b2191-9
0.619
EDJ-MED-378a25ea-26
0.619
MAT-POS-e36d57d9-1
0.619
MAT-POS-81ae2990-9
0.617
MAT-POS-b4d6b7fc-9
0.617
EDJ-MED-378a25ea-10
0.615
MAT-POS-97ec4bd1-3
0.614
EDJ-MED-378a25ea-24
0.608
EDJ-MED-378a25ea-12
0.607
MAT-POS-5c19d660-3
0.603
EDJ-MED-378a25ea-8
0.603
MAT-POS-78ab8081-4
0.595
EDJ-MED-378a25ea-22
0.595
EDJ-MED-378a25ea-2
0.595
MAT-POS-78ab8081-5
0.595
MAT-POS-78ab8081-2
0.592
MAT-POS-dd1fff26-2
0.591
MAT-POS-5cd9ea36-10
0.591
MAT-POS-dd1fff26-1
0.591
EDJ-MED-378a25ea-20
0.590
EDJ-MED-378a25ea-30
0.589
PET-UNK-615ad708-5
0.588
PET-UNK-ff046148-1
0.588
PET-UNK-615ad708-2
0.588
EDJ-MED-378a25ea-28
0.585
EDJ-MED-378a25ea-14
0.584
EDJ-MED-378a25ea-6
0.582
ALP-POS-395d3f9b-1
0.581
PET-UNK-af70882d-4
0.579
EDJ-MED-7f6e5b75-1
0.579
MAT-POS-5cd9ea36-9
0.578
MAT-POS-78ab8081-3
0.577
EDJ-MED-378a25ea-34
0.576
PET-UNK-19e211a9-5
0.574
PET-UNK-19e211a9-7
0.574
XIA-UNK-284f966f-1
0.573
PET-UNK-94036022-8
0.573
MAT-POS-dc2604c4-1
0.573
MAT-POS-e194df51-1
0.573
MAT-POS-e194df51-2
0.573
PET-UNK-94036022-1
0.573
EDJ-MED-378a25ea-16
0.571
JOH-SUS-07b743f6-1
0.571
EDJ-MED-76744c27-2
0.568
EDJ-MED-76744c27-7
0.568
XIA-UNK-c8ef6831-1
0.568
MAT-POS-4223bc15-6
0.568
MAT-POS-78ab8081-1
0.566
MAT-POS-83f73d0a-2
0.566
EDJ-MED-378a25ea-5
0.563
EDJ-MED-378a25ea-19
0.563
ALF-EVA-07677224-9
0.563
EDJ-MED-be9e6f63-4
0.560
EDJ-MED-7889e8da-4
0.560
JOH-SUS-07b743f6-6
0.559
PET-UNK-03fd2068-3
0.559
MAT-POS-bf364d7a-1
0.558
MAT-POS-bf364d7a-2
0.558
MAT-POS-4223bc15-12
0.558
EDJ-MED-4fff0a85-3
0.558
EDJ-MED-be9e6f63-3
0.557
MAT-POS-c7726e07-8
0.557
EDJ-MED-be9e6f63-1
0.557
EDJ-MED-378a25ea-25
0.557
MAT-POS-c7726e07-7
0.557
PET-UNK-de87a406-1
0.556
MAT-POS-5cd9ea36-8
0.554
FRA-DIA-6238d354-2
0.554
EDJ-MED-378a25ea-1
0.553
PET-UNK-c6bcc80b-8
0.552
PET-UNK-c6bcc80b-1
0.552
EDJ-MED-76744c27-5
0.552
MAT-POS-4223bc15-4
0.551
EDJ-MED-4fff0a85-2
0.551
EDJ-MED-378a25ea-32
0.550
JOH-SUS-07b743f6-3
0.550
MAT-POS-5c19d660-1
0.549
MAT-POS-5cd9ea36-5
0.549
ALP-POS-07e1ed01-2
0.549
PET-UNK-19e211a9-8
0.548
MAT-POS-22373164-2
0.548
EDJ-MED-378a25ea-7
0.548