Molecular Properties | |
SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccc(C(C)(C)O)cc34)C2)CS(=O)(=O)C1 |
MW: | 591.13 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 133.74 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.35623483684009 |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | 2021-11-10 |
Oxetanes, thietanes
Hetero_hetero
MAT-POS-666635d5-2
1.000
MAT-POS-97ec4bd1-2
0.778
MAT-POS-5c19d660-2
0.778
MAT-POS-c88128cb-1
0.771
MAT-POS-97ec4bd1-1
0.771
MAT-POS-78ab8081-5
0.764
MAT-POS-c88128cb-2
0.761
MAT-POS-78ab8081-3
0.757
MAT-POS-bf364d7a-1
0.741
MAT-POS-bf364d7a-2
0.741
EDJ-MED-4fff0a85-3
0.741
MAT-POS-78ab8081-1
0.706
MAT-POS-83f73d0a-2
0.706
EDJ-MED-ede277f6-10
0.690
EDJ-MED-ede277f6-12
0.690
MAT-POS-81ae2990-3
0.676
EDJ-MED-ede277f6-11
0.643
MAT-POS-dd1fff26-2
0.628
MAT-POS-dd1fff26-1
0.628
MAT-POS-5cd9ea36-10
0.628
ALF-EVA-07677224-9
0.612
MAT-POS-97ec4bd1-3
0.609
MAT-POS-81ae2990-6
0.602
EDJ-MED-378a25ea-26
0.600
MAT-POS-e36d57d9-1
0.600
MAT-POS-2e8b2191-9
0.600
MAT-POS-5c19d660-3
0.598
MAT-POS-81ae2990-9
0.598
MAT-POS-b4d6b7fc-9
0.598
EDJ-MED-378a25ea-10
0.597
EDJ-MED-378a25ea-2
0.590
EDJ-MED-378a25ea-24
0.590
MAT-POS-78ab8081-4
0.590
EDJ-MED-378a25ea-12
0.588
MAT-POS-78ab8081-6
0.587
PET-UNK-19e211a9-9
0.587
PET-UNK-19e211a9-10
0.587
EDJ-MED-378a25ea-30
0.584
EDJ-MED-378a25ea-34
0.584
EDJ-MED-378a25ea-22
0.577
MAT-POS-5cd9ea36-9
0.573
EDJ-MED-378a25ea-20
0.573
EDJ-MED-378a25ea-8
0.573
PET-UNK-615ad708-2
0.569
PET-UNK-ff046148-1
0.569
PET-UNK-615ad708-5
0.569
EDJ-MED-378a25ea-28
0.568
PET-UNK-03fd2068-3
0.568
JOH-SUS-07b743f6-1
0.567
EDJ-MED-378a25ea-6
0.565
MAT-POS-bf364d7a-11
0.565
MAT-POS-bf364d7a-12
0.565
MAT-POS-5cd9ea36-7
0.565
ALP-POS-395d3f9b-1
0.563
MAT-POS-4223bc15-6
0.562
FRA-DIA-6238d354-2
0.562
EDJ-MED-7f6e5b75-1
0.560
EDJ-MED-76744c27-5
0.560
EDJ-MED-378a25ea-19
0.559
MAT-POS-bf364d7a-7
0.558
MAT-POS-bf364d7a-8
0.558
MAT-POS-81ae2990-2
0.558
ALF-EVA-07677224-7
0.558
EDJ-MED-76744c27-4
0.558
ALP-POS-07e1ed01-2
0.557
EDJ-MED-378a25ea-14
0.555
EDJ-MED-378a25ea-16
0.555
JOH-SUS-07b743f6-6
0.555
PET-UNK-94036022-1
0.555
XIA-UNK-284f966f-1
0.555
PET-UNK-94036022-8
0.555
MAT-POS-e194df51-1
0.555
MAT-POS-dc2604c4-1
0.555
MAT-POS-e194df51-2
0.555
EDJ-MED-28cccd0c-3
0.551
PET-UNK-de87a406-1
0.551
MAT-POS-78ab8081-2
0.550
MAT-POS-81ae2990-1
0.550
XIA-UNK-c8ef6831-1
0.550
MAT-POS-dc2604c4-2
0.549
PET-UNK-c6bcc80b-1
0.548
PET-UNK-c6bcc80b-8
0.548
PET-UNK-af70882d-4
0.547
EDJ-MED-378a25ea-5
0.547
EDJ-MED-4fff0a85-2
0.546
EDJ-MED-378a25ea-32
0.546
JOH-SUS-07b743f6-3
0.545
EDJ-MED-7889e8da-4
0.542
EDJ-MED-be9e6f63-4
0.542
MAT-POS-bf364d7a-4
0.542
MAT-POS-bf364d7a-6
0.542
MAT-POS-bf364d7a-3
0.542
PET-UNK-af70882d-1
0.542
MAT-POS-bf364d7a-5
0.542
MAT-POS-5cd9ea36-1
0.542
EDJ-MED-76744c27-1
0.542
EDJ-MED-4fff0a85-4
0.542
MAT-POS-4223bc15-12
0.541
MAT-POS-c7726e07-7
0.540
MAT-POS-c7726e07-8
0.540