Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(CNCC2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cc1F |
MW: | 554.12 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 123.41 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.94485628819395 |
Order Status | |
Shipped: | 2021-05-06 |
Activated haloaromatics
MAT-POS-7174c657-4
1.000
MAT-POS-24589f88-9
1.000
KAD-UNI-b13decd3-3
0.780
MAT-POS-24589f88-12
0.780
MAT-POS-7174c657-1
0.763
KAD-UNI-cb0f2bbc-23
0.763
MAT-POS-24589f88-13
0.763
EDJ-MED-f893e2a1-8
0.692
MAT-POS-e6dd326d-10
0.691
KAD-UNI-b13decd3-9
0.686
EDJ-MED-15e90dfc-7
0.685
KAD-UNI-cb0f2bbc-9
0.680
MAT-POS-a3f7f96a-9
0.680
MAT-POS-e6dd326d-11
0.679
MAT-POS-e6dd326d-4
0.676
KAD-UNI-cb0f2bbc-15
0.672
KAD-UNI-cb0f2bbc-18
0.672
MAT-POS-61f37a1a-9
0.672
MAT-POS-e6dd326d-2
0.670
MAT-POS-45b13633-2
0.670
EDJ-MED-f893e2a1-3
0.670
EDJ-MED-15e90dfc-1
0.670
EDJ-MED-15e90dfc-4
0.670
EDJ-MED-f893e2a1-1
0.670
KAD-UNI-b13decd3-11
0.667
MAT-POS-5f1400cf-2
0.661
KAD-UNI-b13decd3-6
0.661
EDJ-MED-424a8a89-1
0.661
MAT-POS-e6dd326d-13
0.661
EDJ-MED-40433386-10
0.661
EDJ-MED-15e90dfc-3
0.661
RAL-THA-e002e396-6
0.661
MAT-POS-e6dd326d-9
0.661
KAD-UNI-cb0f2bbc-16
0.659
MAT-POS-61f37a1a-6
0.659
EDJ-MED-8c98ee63-2
0.658
EDJ-MED-f893e2a1-7
0.658
EDJ-MED-8c98ee63-1
0.658
MAT-POS-e6dd326d-6
0.658
MAT-POS-24589f88-8
0.656
KAD-UNI-cb0f2bbc-6
0.656
KAD-UNI-b13decd3-10
0.656
KAD-UNI-cb0f2bbc-2
0.656
KAD-UNI-b13decd3-7
0.653
MAT-POS-e6dd326d-5
0.652
KAD-UNI-cb0f2bbc-5
0.651
MAT-POS-24589f88-7
0.651
MAT-POS-e6dd326d-12
0.649
MAT-POS-e6dd326d-8
0.649
EDJ-MED-f893e2a1-10
0.647
EDJ-MED-f893e2a1-4
0.647
EDG-MED-971238d3-5
0.645
MAT-POS-e6dd326d-1
0.645
MAT-POS-45b13633-1
0.645
MAT-POS-2bb0cf2b-1
0.645
EDJ-MED-40433386-2
0.645
EDJ-MED-4c7486ba-11
0.645
EDJ-MED-4c7486ba-8
0.645
ALP-UNI-0676e700-13
0.645
MAT-POS-3b97339c-3
0.645
MAT-POS-e6dd326d-7
0.640
EDJ-MED-f893e2a1-5
0.640
EDJ-MED-424a8a89-2
0.640
KAD-UNI-b13decd3-12
0.639
RAL-THA-e002e396-2
0.636
RAL-THA-e002e396-1
0.636
KAD-UNI-cb0f2bbc-11
0.635
MAT-POS-a3f7f96a-7
0.635
EDJ-MED-40433386-4
0.635
RAL-THA-e002e396-5
0.634
EDG-MED-971238d3-6
0.633
DAR-DIA-ecdbc7dd-16
0.632
KAD-UNI-cb0f2bbc-22
0.630
MAT-POS-61f37a1a-3
0.630
KAD-UNI-cb0f2bbc-7
0.630
KAD-UNI-cb0f2bbc-19
0.630
MAT-POS-a3f7f96a-8
0.630
MAT-POS-a3f7f96a-6
0.630
EDJ-MED-f893e2a1-2
0.627
EDJ-MED-4c7486ba-1
0.626
EDG-MED-70ae9412-2
0.626
EDJ-MED-4c7486ba-4
0.626
RAL-THA-e002e396-8
0.623
EDJ-MED-15e90dfc-5
0.621
EDG-MED-971238d3-2
0.620
MAT-POS-9db1e783-2
0.620
KAD-UNI-cb0f2bbc-1
0.620
MAT-POS-24589f88-15
0.620
ALP-UNI-3496895b-16
0.620
ALP-UNI-8e43a71e-16
0.620
EDJ-MED-40433386-5
0.619
EDG-MED-971238d3-3
0.618
RAL-THA-58fba2bc-3
0.618
EDJ-MED-15e90dfc-6
0.617
EDJ-MED-f893e2a1-6
0.617
EDG-MED-971238d3-7
0.616
EDJ-MED-15e90dfc-2
0.615
RAL-THA-e002e396-7
0.614
MAT-POS-e6dd326d-14
0.613
EDJ-MED-40433386-3
0.610