Molecular Properties | |
SMILES: | C=CC(=O)N(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 392.09 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 59.5 |
cLogP: | 4.5 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.328150767944074 |
Order Status | |
Shipped: | 2021-01-14 |
acyclic_imide
MAT-POS-090737b9-1
1.000
VLA-UCB-50c39ae8-7
1.000
DAR-DIA-5ff57136-11
0.828
VLA-UCB-05e51b3f-4
0.767
VLA-UCB-50c39ae8-1
0.767
DAR-DIA-5ff57136-9
0.755
DAR-DIA-5ff57136-19
0.755
MAT-POS-9db1e783-3
0.755
VLA-UCB-05e51b3f-9
0.742
VLA-UCB-50c39ae8-6
0.742
MAT-POS-e69ad64a-2
0.739
NIR-THE-47736cde-1
0.739
NIR-THE-47736cde-2
0.739
VLA-UNK-5c5a631c-3
0.736
VLA-UCB-34f3ed0c-1
0.720
VLA-UCB-34f3ed0c-19
0.720
VLA-UCB-34f3ed0c-20
0.695
WIL-UCB-7ba4ac3a-2
0.685
MAK-UNK-3875bbc8-2
0.685
JOH-UNI-ea72002d-6
0.660
PET-UNK-064639eb-6
0.656
PET-UNK-064639eb-3
0.656
DAR-DIA-5ff57136-14
0.653
DAR-DIA-5ff57136-18
0.635
VLA-UCB-05e51b3f-7
0.635
VLA-UCB-50c39ae8-4
0.635
VLA-UNK-5c5a631c-2
0.633
VLA-UNK-4b5c0188-1
0.629
DAR-DIA-5ff57136-13
0.629
MAT-POS-e69ad64a-1
0.625
DAR-DIA-5ff57136-16
0.622
JOH-UNI-ea72002d-7
0.622
DAR-DIA-5ff57136-15
0.622
JOH-UNI-ea72002d-1
0.616
DAR-DIA-5ff57136-10
0.616
DAR-DIA-5ff57136-2
0.612
DAR-DIA-5ff57136-1
0.612
DAR-DIA-5ff57136-17
0.610
ALP-UNI-44c99a80-2
0.608
MAK-UNK-83e0a0b4-3
0.600
ALP-UNI-44c99a80-3
0.598
DAR-DIA-5ff57136-12
0.585
VLA-UNK-5c5a631c-1
0.581
VLA-UCB-1dbca3b4-15
0.558
MAT-POS-b3e365b9-1
0.558
MAT-POS-f7918075-1
0.558
MAT-POS-b3e365b9-2
0.558
DAR-DIA-b4e9dd8d-6
0.558
DAR-DIA-b4e9dd8d-1
0.558
DAR-DIA-b4e9dd8d-3
0.558
NIR-THE-2069301b-1
0.556
NIR-THE-af15c15d-1
0.545
DAR-DIA-6a508060-1
0.536
ALF-EVA-5b152d2f-4
0.525
FRA-DIA-a1f3a927-1
0.525
NIR-WEI-acbd6416-2
0.525
DAR-DIA-6a508060-2
0.520
MAK-UNK-3875bbc8-1
0.520
ALF-EVA-a24cc7ce-2
0.515
DAR-DIA-5ff57136-7
0.515
ADA-UCB-dc2b944c-10
0.490
JOH-UNI-ea72002d-4
0.486
PAU-WIS-d4065696-1
0.485
JOH-UNI-ea72002d-3
0.481
JOH-UNI-1b27fa5e-2
0.480
ALF-EVA-5b152d2f-1
0.480
JOH-UNI-f51e3bbc-3
0.476
EDG-MED-5d232de5-1
0.475
ALP-POS-696356e4-1
0.475
EDG-MED-5d232de5-2
0.475
ALP-POS-ce760d3f-7
0.475
DAR-DIA-b4e9dd8d-5
0.473
DAR-DIA-b4e9dd8d-2
0.473
DAR-DIA-b4e9dd8d-4
0.473
JOH-UNI-21fd6073-3
0.472
ALF-EVA-5b152d2f-6
0.471
CHE-UNK-1fcbaeee-3
0.468
MAK-UNK-3875bbc8-3
0.465
BEN-DND-d1eb1f41-17
0.462
ADA-UCB-dc2b944c-9
0.462
CHE-UNK-1fcbaeee-2
0.460
PET-UNK-e8c7a26f-1
0.458
ALF-EVA-a24cc7ce-6
0.456
EDJ-MED-12c115cc-2
0.455
MAT-POS-bbbbc21a-2
0.455
EDJ-MED-12c115cc-1
0.455
MAT-POS-f7918075-2
0.455
ERI-UCB-9c7ec71b-2
0.450
EDJ-MED-e9694d2b-1
0.450
JOH-UNI-f51e3bbc-4
0.449
ALP-POS-ce760d3f-3
0.447
BEN-DND-4f474d93-2
0.447
EDJ-MED-ba7e64f2-1
0.447
BEN-DND-c852c98b-4
0.447
DAR-DIA-5ff57136-5
0.443
VLA-UCB-05e51b3f-16
0.440
DAR-DIA-076fb6ea-1
0.440
BEN-DND-c852c98b-1
0.439
BEN-DND-c852c98b-7
0.439
PET-UNK-6314f867-1
0.439