Molecular Properties | |
SMILES: | C=CC(=O)NCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 421.12 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.85 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.871020510154077 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-04-28 |
Long aliphatic chain
MAT-POS-e6dd326d-9
0.822
MAT-POS-e6dd326d-12
0.804
MAT-POS-45b13633-2
0.798
MAT-POS-e6dd326d-2
0.798
MAT-POS-e6dd326d-6
0.796
EDJ-MED-40433386-10
0.779
DAR-DIA-ecdbc7dd-16
0.779
EDJ-MED-424a8a89-2
0.774
EDJ-MED-4c7486ba-1
0.771
EDJ-MED-4c7486ba-4
0.771
EDG-MED-70ae9412-2
0.771
MAT-POS-e6dd326d-7
0.771
MAT-POS-3b97339c-1
0.765
EDJ-MED-4c7486ba-12
0.765
EDJ-MED-40433386-7
0.765
EDJ-MED-40433386-3
0.765
EDJ-MED-4c7486ba-9
0.765
EDJ-MED-f893e2a1-8
0.763
MAT-POS-e6dd326d-4
0.763
EDJ-MED-40433386-4
0.763
EDJ-MED-40433386-5
0.758
MAT-POS-e6dd326d-11
0.747
MAT-POS-9db1e783-2
0.736
EDG-MED-971238d3-2
0.736
MAT-POS-e6dd326d-5
0.732
RAL-THA-58fba2bc-3
0.731
EDG-MED-971238d3-3
0.731
MAT-POS-2bb0cf2b-1
0.728
EDG-MED-971238d3-5
0.728
MAT-POS-e6dd326d-1
0.728
MAT-POS-45b13633-1
0.728
EDJ-MED-15e90dfc-5
0.727
EDJ-MED-424a8a89-1
0.724
EDJ-MED-15e90dfc-3
0.724
MAT-POS-e6dd326d-13
0.724
MAT-POS-e6dd326d-10
0.724
DAR-DIA-ecdbc7dd-13
0.723
EDJ-MED-15e90dfc-2
0.720
EDJ-MED-40433386-8
0.718
EDJ-MED-15e90dfc-7
0.717
EDJ-MED-f893e2a1-3
0.717
MAT-POS-e6dd326d-14
0.716
JAG-UCB-706446eb-3
0.713
MAT-POS-45b13633-4
0.713
RAL-THA-58fba2bc-1
0.713
EDG-MED-971238d3-6
0.713
EDG-MED-971238d3-10
0.713
EDG-MED-971238d3-9
0.713
EDG-MED-70ae9412-1
0.712
EDJ-MED-4c7486ba-3
0.712
EDJ-MED-4c7486ba-2
0.712
EDJ-MED-4c7486ba-5
0.712
EDJ-MED-4c7486ba-6
0.712
EDJ-MED-f893e2a1-9
0.710
DAR-DIA-ecdbc7dd-4
0.708
EDJ-MED-f893e2a1-10
0.706
EDJ-MED-f893e2a1-4
0.706
MAT-POS-45b13633-3
0.705
MAT-POS-e6dd326d-3
0.705
KAD-UNI-8a629cb0-41
0.705
ALP-UNI-0676e700-19
0.705
ALP-UNI-0676e700-11
0.705
ALP-UNI-0676e700-30
0.704
EDJ-MED-8c98ee63-1
0.703
EDJ-MED-28ec730d-2
0.701
EDJ-MED-15e90dfc-1
0.699
EDJ-MED-f893e2a1-1
0.699
EDJ-MED-15e90dfc-4
0.699
ALP-UNI-0676e700-3
0.698
RAL-THA-e002e396-2
0.698
RAL-THA-e002e396-11
0.698
RAL-THA-e002e396-1
0.698
ALP-POS-477dc5b7-3
0.694
DAR-DIA-ecdbc7dd-3
0.694
ALP-UNI-0676e700-29
0.692
ALP-UNI-0676e700-16
0.692
RAL-THA-e002e396-6
0.691
EDG-MED-971238d3-7
0.691
EDG-MED-971238d3-8
0.691
MAT-POS-f9802937-5
0.691
MAT-POS-f9802937-6
0.691
MAT-POS-5d65ec79-2
0.691
EDJ-MED-f893e2a1-6
0.686
EDJ-MED-4c7486ba-11
0.685
ALP-UNI-0676e700-7
0.685
EDJ-MED-40433386-2
0.685
EDJ-MED-4c7486ba-8
0.685
ALP-UNI-0676e700-13
0.685
ALP-UNI-0676e700-21
0.685
ALP-UNI-0676e700-24
0.685
MAT-POS-3b97339c-3
0.685
MAT-POS-5d65ec79-1
0.684
MAT-POS-f9802937-3
0.684
MAT-POS-45b13633-5
0.684
MAT-POS-f9802937-4
0.684
EDJ-MED-f893e2a1-2
0.683
ALP-UNI-0676e700-4
0.682
DAR-DIA-ecdbc7dd-5
0.680
RAL-THA-e002e396-8
0.680
DAR-DIA-ecdbc7dd-11
0.680