Molecular Properties | |
SMILES: | COc1cccc2[nH]c(=O)cc(C(=O)NCCOc3ccccc3OCC3CC3)c12 |
MW: | 408.17 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 89.65 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.98987838789363 |
Order Status | |
Ordered: | 2020-11-07 |
Synthesis Location: | moonshot |
Shipped: | 2021-01-14 |
Aliphatic long chain
EDJ-MED-6af13d92-3
EDJ-MED-6af13d92-3
0.785
EDJ-MED-bbe8e3da-4
0.724
EDJ-MED-bbe8e3da-1
0.696
EDJ-MED-bbe8e3da-3
0.652
VLA-UNK-eaa804fd-3
0.648
MAT-POS-3b536971-1
0.640
EDJ-MED-edeb0d3a-2
0.640
EDJ-MED-6af13d92-2
0.618
EDJ-MED-6af13d92-1
0.600
MAT-POS-916a2c5a-2
0.489
DAR-DIA-9e4459de-23
0.470
DAR-DIA-9e4459de-22
0.466
DAR-DIA-9e4459de-18
0.466
DAR-DIA-9e4459de-21
0.466
MAT-POS-590ac91e-42
0.465
DAR-DIA-9e4459de-19
0.463
DAR-DIA-9e4459de-20
0.460
DAR-DIA-9e4459de-17
0.459
MAT-POS-590ac91e-32
0.455
MAT-POS-35d3f55a-2
0.449
DAR-DIA-9e4459de-24
0.446
ALP-POS-bea7b391-3
0.430
ALP-POS-bea7b391-2
0.426
ALP-POS-3fc1724e-1
0.404
ALP-POS-05819dc4-1
0.404
EDJ-MED-edeb0d3a-3
0.400
BEN-DND-7e92b6ca-1
0.387
EDJ-MED-d1cd9639-2
0.377
DAR-DIA-8e329c92-2
0.376
JOH-UNI-abfda500-3
0.376
DAR-DIA-1a77c53a-2
0.376
DAR-DIA-1a77c53a-1
0.374
MAT-UCB-70f7c0f7-1
0.373
MAT-POS-8fd29122-1
0.372
MAT-POS-3b536971-2
0.371
DAR-DIA-1a77c53a-18
0.368
DAR-DIA-8e329c92-3
0.366
MAT-POS-91829f0d-1
0.366
MAR-UCB-f313ec4d-2
0.366
DAR-DIA-1a77c53a-10
0.364
DAR-DIA-1a77c53a-11
0.364
DAR-DIA-1a77c53a-9
0.363
DAR-DIA-1a77c53a-17
0.359
DAR-DIA-1a77c53a-13
0.358
DAR-DIA-1a77c53a-12
0.358
DAR-DIA-1a77c53a-20
0.357
DAR-DIA-1a77c53a-3
0.356
DAR-DIA-1a77c53a-24
0.356
DAR-DIA-1a77c53a-19
0.356
DAR-DIA-1a77c53a-4
0.356
DAR-DIA-1a77c53a-5
0.355
DAR-DIA-1a77c53a-6
0.355
ERI-UCB-ce40166b-25
0.355
DAR-DIA-1a77c53a-7
0.354
DAR-DIA-1a77c53a-14
0.353
DAR-DIA-1a77c53a-23
0.350
DAR-DIA-1a77c53a-8
0.348
MAT-POS-590ac91e-53
0.347
DAR-DIA-8e329c92-1
0.346
ERI-UCB-ce40166b-13
0.345
MAT-UCB-70f7c0f7-2
0.345
PET-UNK-752bebd6-1
0.343
BEN-DND-7e92b6ca-5
0.343
DAR-DIA-8e329c92-4
0.343
ERI-UCB-ce40166b-14
0.342
ALP-POS-fc6c627f-1
0.339
MAT-POS-590ac91e-47
0.339
MAT-POS-590ac91e-46
0.339
DAR-DIA-1a77c53a-15
0.336
BEN-DND-7e92b6ca-2
0.333
ERI-UCB-ce40166b-15
0.333
ERI-UCB-ce40166b-18
0.331
NAU-LAT-a5c7d7cb-7
0.330
MAR-UCB-f313ec4d-4
0.330
DAR-DIA-1a77c53a-16
0.328
ALP-POS-3fc1724e-2
0.328
ERI-UCB-ce40166b-17
0.328
DAR-DIA-1a77c53a-21
0.325
ERI-UCB-ce40166b-19
0.322
DAR-DIA-8e329c92-6
0.321
MAT-POS-590ac91e-37
0.321
ALP-POS-fc6c627f-3
0.319
ERI-UCB-ce40166b-16
0.319
MAT-POS-590ac91e-43
0.318
DAR-DIA-1a77c53a-22
0.317
MAT-UCB-70f7c0f7-4
0.315
MAR-UCB-f313ec4d-1
0.308
DAR-DIA-8e329c92-7
0.308
DAR-DIA-8e329c92-5
0.307
MAT-POS-54c4bf04-2
0.306
MAT-POS-35d3f55a-1
0.306
ADA-UCB-b1b30a00-2
0.301
ERI-UCB-ce40166b-20
0.298
DAR-DIA-8e329c92-8
0.295
MAT-POS-590ac91e-40
0.292
MAT-POS-590ac91e-41
0.292
BEN-DND-b89db3f2-4
0.291
DAR-DIA-8e329c92-10
0.291
VLA-UNK-eaa804fd-4
0.291
MAT-UCB-70f7c0f7-3
0.289