Molecular Properties | |
SMILES: | CNS(=O)(=O)c1cc(CNC[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)ccc1F |
MW: | 568.13 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 109.42 |
cLogP: | 4.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 35.9581583272935 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-07-07 |
Activated haloaromatics
Hetero_hetero
MAT-POS-7174c657-1
1.000
KAD-UNI-cb0f2bbc-23
1.000
KAD-UNI-b13decd3-4
0.763
MAT-POS-24589f88-9
0.763
MAT-POS-7174c657-4
0.763
KAD-UNI-b13decd3-3
0.726
MAT-POS-24589f88-12
0.726
EDJ-MED-f893e2a1-8
0.701
MAT-POS-e6dd326d-2
0.695
MAT-POS-45b13633-2
0.695
KAD-UNI-b13decd3-9
0.695
EDJ-MED-15e90dfc-7
0.694
MAT-POS-e6dd326d-4
0.685
KAD-UNI-b13decd3-6
0.683
MAT-POS-5f1400cf-2
0.683
KAD-UNI-b13decd3-11
0.675
MAT-POS-a3f7f96a-9
0.675
KAD-UNI-cb0f2bbc-9
0.675
MAT-POS-e6dd326d-12
0.673
MAT-POS-e6dd326d-11
0.673
RAL-THA-e002e396-5
0.673
MAT-POS-24589f88-7
0.672
KAD-UNI-cb0f2bbc-5
0.672
MAT-POS-e6dd326d-9
0.670
EDJ-MED-424a8a89-1
0.670
EDJ-MED-15e90dfc-3
0.670
MAT-POS-e6dd326d-10
0.670
MAT-POS-e6dd326d-13
0.670
EDJ-MED-8c98ee63-1
0.667
EDJ-MED-8c98ee63-2
0.667
KAD-UNI-cb0f2bbc-18
0.667
MAT-POS-61f37a1a-9
0.667
KAD-UNI-cb0f2bbc-15
0.667
KAD-UNI-b13decd3-10
0.664
EDJ-MED-15e90dfc-1
0.664
EDJ-MED-f893e2a1-1
0.664
EDJ-MED-15e90dfc-4
0.664
MAT-POS-e6dd326d-5
0.661
EDJ-MED-f893e2a1-10
0.655
EDJ-MED-40433386-10
0.655
MAT-POS-61f37a1a-6
0.653
KAD-UNI-cb0f2bbc-16
0.653
EDJ-MED-f893e2a1-7
0.653
MAT-POS-e6dd326d-6
0.652
KAD-UNI-cb0f2bbc-2
0.650
EDJ-MED-f893e2a1-3
0.649
EDJ-MED-424a8a89-2
0.649
KAD-UNI-b13decd3-7
0.648
RAL-THA-e002e396-2
0.645
RAL-THA-e002e396-1
0.645
EDJ-MED-40433386-4
0.643
MAT-POS-e6dd326d-8
0.643
MAT-POS-a3f7f96a-6
0.638
KAD-UNI-cb0f2bbc-7
0.638
EDJ-MED-f893e2a1-2
0.636
EDJ-MED-f893e2a1-5
0.635
MAT-POS-e6dd326d-7
0.635
EDJ-MED-4c7486ba-1
0.635
EDJ-MED-4c7486ba-4
0.635
EDG-MED-70ae9412-2
0.635
MAT-POS-a3f7f96a-7
0.630
KAD-UNI-cb0f2bbc-11
0.630
EDG-MED-971238d3-6
0.627
RAL-THA-58fba2bc-3
0.627
EDG-MED-971238d3-3
0.627
EDJ-MED-f893e2a1-4
0.627
DAR-DIA-6a508060-13
0.626
DAR-DIA-ecdbc7dd-16
0.626
MAT-POS-a3f7f96a-8
0.625
EDG-MED-971238d3-7
0.625
MAT-POS-24589f88-8
0.625
KAD-UNI-cb0f2bbc-19
0.625
RAL-THA-e002e396-6
0.625
KAD-UNI-cb0f2bbc-6
0.625
MAT-POS-2bb0cf2b-1
0.624
MAT-POS-45b13633-1
0.624
EDG-MED-971238d3-5
0.624
MAT-POS-e6dd326d-1
0.624
RAL-THA-e002e396-7
0.623
KAD-UNI-b13decd3-12
0.621
EDJ-MED-28ec730d-2
0.619
RAL-THA-e002e396-8
0.617
RAL-THA-e002e396-11
0.616
EDJ-MED-15e90dfc-5
0.615
KAD-UNI-cb0f2bbc-1
0.615
MAT-POS-24589f88-15
0.615
ALP-UNI-0676e700-11
0.615
MAT-POS-9db1e783-2
0.615
EDG-MED-971238d3-2
0.615
EDG-MED-971238d3-9
0.613
JAG-UCB-706446eb-3
0.613
KAD-UNI-b13decd3-8
0.612
KAD-UNI-b13decd3-2
0.612
MAT-POS-61f37a1a-11
0.612
EDJ-MED-f893e2a1-6
0.612
EDJ-MED-15e90dfc-6
0.612
KAD-UNI-cb0f2bbc-22
0.612
MAT-POS-61f37a1a-3
0.612
MAT-POS-24589f88-10
0.611
KAD-UNI-cb0f2bbc-21
0.611