Molecular Properties | |
SMILES: | O=C(COCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)Nc1ncc[nH]1 |
MW: | 491.14 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 118.23 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.9861426306451 |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | 2021-04-21 |
Long aliphatic chain
ALP-POS-9c80c481-1
0.779
MAT-POS-fc9ede84-1
0.731
RAL-THA-e002e396-12
0.724
EDJ-MED-fcba3f31-5
0.700
RAL-THA-e002e396-11
0.695
EDJ-MED-fcba3f31-10
0.690
EDJ-MED-fcba3f31-4
0.685
EDJ-MED-fcba3f31-3
0.681
RAL-THA-e002e396-13
0.679
EDJ-MED-fcba3f31-2
0.679
EDJ-MED-fcba3f31-6
0.675
EDJ-MED-00143744-2
0.670
EDJ-MED-fcba3f31-12
0.667
EDJ-MED-60df06f3-1
0.661
EDJ-MED-fcba3f31-7
0.655
EDJ-MED-fcba3f31-9
0.653
EDJ-MED-00143744-1
0.647
EDJ-MED-fcba3f31-8
0.643
EDJ-MED-fcba3f31-1
0.633
EDG-MED-971238d3-2
0.632
MAT-POS-9db1e783-2
0.632
EDG-MED-971238d3-5
0.626
MAT-POS-45b13633-1
0.626
MAT-POS-2bb0cf2b-1
0.626
MAT-POS-e6dd326d-1
0.626
MAT-POS-e6dd326d-3
0.624
MAT-POS-45b13633-3
0.624
EDJ-MED-fcba3f31-11
0.623
MAT-POS-45b13633-2
0.620
MAT-POS-e6dd326d-2
0.620
DAR-DIA-ecdbc7dd-3
0.616
RAL-THA-58fba2bc-1
0.615
EDG-MED-971238d3-6
0.615
EDG-MED-971238d3-10
0.615
JAG-UCB-706446eb-3
0.615
EDG-MED-971238d3-3
0.615
MAT-POS-45b13633-4
0.615
RAL-THA-58fba2bc-3
0.615
EDG-MED-971238d3-9
0.615
MAT-POS-f9802937-5
0.613
DAR-DIA-ecdbc7dd-4
0.613
MAT-POS-e6dd326d-9
0.613
MAT-POS-5d65ec79-2
0.613
MAT-POS-f9802937-6
0.613
MAT-POS-e6dd326d-6
0.611
DAR-DIA-ecdbc7dd-13
0.609
MAT-POS-45b13633-5
0.607
MAT-POS-5d65ec79-1
0.607
EDJ-MED-28ec730d-2
0.607
MAT-POS-f9802937-4
0.607
MAT-POS-f9802937-3
0.607
DAR-DIA-ecdbc7dd-11
0.605
RAL-THA-e002e396-2
0.604
RAL-THA-e002e396-1
0.604
MAT-POS-e6dd326d-8
0.602
MAT-POS-e6dd326d-12
0.602
ALP-POS-477dc5b7-3
0.602
EDJ-MED-424a8a89-1
0.600
JAG-UCB-706446eb-4
0.600
DAR-DIA-ecdbc7dd-16
0.600
EDJ-MED-15e90dfc-3
0.600
LEE-CAM-7ab9b158-1
0.598
EDJ-MED-15e90dfc-2
0.598
EDG-MED-971238d3-7
0.598
EDG-MED-971238d3-8
0.598
MAT-POS-e6dd326d-4
0.598
EDJ-MED-f893e2a1-8
0.598
RAL-THA-e002e396-6
0.598
JAG-UCB-706446eb-6
0.597
RAL-THA-e002e396-7
0.596
EDJ-MED-4c7486ba-1
0.595
MAT-POS-e6dd326d-7
0.595
EDG-MED-70ae9412-2
0.595
EDJ-MED-4c7486ba-4
0.595
EDJ-MED-424a8a89-2
0.593
LEE-CAM-7ab9b158-2
0.592
VLA-UCB-34f3ed0c-10
0.592
EDJ-MED-28ec730d-1
0.591
EDJ-MED-15e90dfc-5
0.590
CHO-MSK-a31cca77-4
0.588
EDJ-MED-d203f206-2
0.588
MAT-POS-e6dd326d-11
0.588
RAL-THA-e002e396-5
0.588
ALP-UNI-0676e700-4
0.587
EDJ-MED-40433386-10
0.586
JAG-UCB-706446eb-2
0.586
MAT-POS-e6dd326d-10
0.586
JAG-UCB-706446eb-1
0.585
EDJ-MED-8c98ee63-1
0.585
EDJ-MED-15e90dfc-1
0.583
EDJ-MED-f893e2a1-1
0.583
EDJ-MED-4c7486ba-3
0.582
EDJ-MED-4c7486ba-6
0.582
DAR-DIA-ecdbc7dd-2
0.581
EDJ-MED-15e90dfc-7
0.581
RAL-THA-e002e396-3
0.581
LEE-CAM-7ab9b158-4
0.580
EDJ-MED-d203f206-13
0.579
DAR-DIA-ecdbc7dd-5
0.578
MAT-POS-e6dd326d-5
0.578