Molecular Properties | |
SMILES: | O=C(Cn1ccnc1)NCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 475.14 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 98.14 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.87960865224115 |
Order Status | |
Shipped: | 2021-01-28 |
Long aliphatic chain
EDJ-MED-4c7486ba-2
1.000
EDJ-MED-4c7486ba-5
1.000
EDG-MED-70ae9412-2
0.733
EDJ-MED-4c7486ba-4
0.733
EDJ-MED-4c7486ba-1
0.733
MAT-POS-e6dd326d-9
0.725
MAT-POS-e6dd326d-6
0.721
ALP-UNI-0676e700-12
0.713
MAT-POS-e6dd326d-8
0.712
MAT-POS-e6dd326d-12
0.712
MAT-POS-45b13633-2
0.703
MAT-POS-e6dd326d-2
0.703
MAT-POS-e6dd326d-7
0.701
EDG-MED-90036822-18
0.697
EDJ-MED-4c7486ba-3
0.696
EDJ-MED-4c7486ba-6
0.696
MAT-POS-e6dd326d-4
0.692
EDJ-MED-40433386-10
0.692
DAR-DIA-ecdbc7dd-16
0.692
ALP-UNI-0676e700-30
0.690
MAT-POS-e6dd326d-11
0.679
EDJ-MED-40433386-4
0.679
EDJ-MED-f893e2a1-8
0.676
EDJ-MED-15e90dfc-3
0.676
EDJ-MED-424a8a89-1
0.676
ALP-UNI-0676e700-19
0.675
KAD-UNI-8a629cb0-41
0.675
EDJ-MED-424a8a89-2
0.670
ALP-UNI-0676e700-4
0.669
EDJ-MED-4c7486ba-12
0.667
EDJ-MED-40433386-7
0.667
MAT-POS-9db1e783-2
0.667
MAT-POS-3b97339c-1
0.667
EDG-MED-971238d3-2
0.667
EDJ-MED-40433386-3
0.667
EDJ-MED-4c7486ba-9
0.667
EDJ-MED-40433386-5
0.661
MAT-POS-e6dd326d-10
0.661
MAT-POS-2bb0cf2b-1
0.660
MAT-POS-e6dd326d-1
0.660
MAT-POS-45b13633-1
0.660
EDG-MED-971238d3-5
0.660
EDJ-MED-40433386-8
0.658
EDJ-MED-8c98ee63-1
0.658
MAT-POS-e6dd326d-14
0.655
EDJ-MED-f893e2a1-3
0.655
EDJ-MED-15e90dfc-7
0.655
ALP-UNI-0676e700-28
0.653
ALP-UNI-0676e700-8
0.653
ALP-UNI-0676e700-15
0.653
ALP-UNI-0676e700-2
0.653
MAT-POS-e6dd326d-5
0.651
RAL-THA-e002e396-11
0.651
EDJ-MED-15e90dfc-5
0.649
RAL-THA-58fba2bc-1
0.648
EDG-MED-971238d3-10
0.648
JAG-UCB-706446eb-3
0.648
EDG-MED-971238d3-9
0.648
MAT-POS-45b13633-4
0.648
RAL-THA-58fba2bc-3
0.648
EDG-MED-971238d3-3
0.648
ALP-UNI-0676e700-10
0.647
MAT-POS-e6dd326d-13
0.645
ALP-UNI-0676e700-24
0.644
EDJ-MED-8c98ee63-2
0.643
EDJ-MED-15e90dfc-2
0.643
DAR-DIA-ecdbc7dd-13
0.642
EDJ-MED-28ec730d-2
0.639
RAL-THA-e002e396-13
0.636
EDG-MED-90036822-54
0.635
EDJ-MED-f893e2a1-9
0.634
RAL-THA-e002e396-12
0.633
ALP-UNI-0676e700-11
0.632
EDG-MED-971238d3-6
0.632
EDJ-MED-f893e2a1-4
0.632
ALP-UNI-0676e700-9
0.631
JAG-UCB-706446eb-2
0.631
ALP-UNI-0676e700-21
0.630
MAT-POS-f9802937-5
0.630
MAT-POS-5d65ec79-2
0.630
DAR-DIA-ecdbc7dd-4
0.630
MAT-POS-f9802937-6
0.630
EDJ-MED-f893e2a1-6
0.629
MAT-POS-61f37a1a-3
0.629
KAD-UNI-cb0f2bbc-22
0.629
ALP-UNI-0676e700-3
0.627
MAT-POS-e6dd326d-3
0.626
MAT-POS-45b13633-3
0.626
EDJ-MED-f893e2a1-1
0.626
EDJ-MED-15e90dfc-4
0.626
EDJ-MED-15e90dfc-1
0.626
MAT-POS-45b13633-5
0.624
EDJ-MED-40433386-9
0.623
ALP-UNI-0676e700-16
0.622
ALP-UNI-0676e700-29
0.622
RAL-THA-e002e396-1
0.620
RAL-THA-e002e396-2
0.620
DAR-DIA-ecdbc7dd-3
0.618
ALP-POS-477dc5b7-3
0.618
EDJ-MED-4c7486ba-10
0.618