Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2cccc(F)c12 |
MW: | 356.12 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 80.42 |
cLogP: | 2.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - RapidFire: | 1.82765031034897 |
Order Status | |
Ordered: | 2020-05-30 |
Synthesis Location: | enamine |
Shipped: | 2020-07-29 |
Aliphatic long chain
ALE-HEI-f28a35b5-9
EDJ-MED-6af13d92-3
0.776
EDJ-MED-6af13d92-1
0.747
EDJ-MED-bbe8e3da-2
0.618
EDJ-MED-bbe8e3da-4
0.618
EDJ-MED-bbe8e3da-3
0.602
MAT-POS-916a2c5a-2
0.595
MAT-POS-3b536971-1
0.591
EDJ-MED-edeb0d3a-2
0.591
MAT-POS-590ac91e-32
0.586
EDJ-MED-bbe8e3da-1
0.579
MAT-POS-590ac91e-42
0.562
VLA-UNK-eaa804fd-3
0.562
MAT-POS-35d3f55a-2
0.528
BEN-DND-7e92b6ca-1
0.482
MAT-POS-8fd29122-1
0.464
ALP-POS-05819dc4-1
0.458
DAR-DIA-8e329c92-3
0.451
MAT-POS-91829f0d-1
0.451
MAR-UCB-f313ec4d-2
0.451
DAR-DIA-9e4459de-23
0.446
DAR-DIA-8e329c92-2
0.446
JOH-UNI-abfda500-3
0.446
PET-UNK-752bebd6-1
0.443
DAR-DIA-9e4459de-18
0.443
DAR-DIA-9e4459de-21
0.443
DAR-DIA-9e4459de-22
0.443
DAR-DIA-9e4459de-17
0.436
DAR-DIA-9e4459de-19
0.430
ALP-POS-3fc1724e-1
0.429
DAR-DIA-9e4459de-20
0.426
DAR-DIA-8e329c92-1
0.426
DAR-DIA-9e4459de-24
0.423
MAT-POS-590ac91e-37
0.423
ERI-UCB-ce40166b-25
0.418
BEN-DND-7e92b6ca-2
0.411
MAT-UCB-70f7c0f7-1
0.394
MAT-POS-590ac91e-43
0.390
ALP-POS-fc6c627f-3
0.387
EDJ-MED-edeb0d3a-3
0.382
MAR-UCB-f313ec4d-1
0.381
DAR-DIA-8e329c92-6
0.380
MAT-POS-590ac91e-40
0.373
MAT-POS-590ac91e-41
0.373
BEN-DND-7e92b6ca-5
0.366
DAR-DIA-8e329c92-4
0.363
MAT-POS-590ac91e-47
0.357
MAT-POS-590ac91e-46
0.357
ERI-UCB-ce40166b-15
0.352
MAT-UCB-70f7c0f7-2
0.351
NAU-LAT-a5c7d7cb-7
0.350
MAT-POS-35d3f55a-1
0.350
MAR-UCB-f313ec4d-4
0.350
MAT-POS-54c4bf04-2
0.350
DAR-DIA-8e329c92-5
0.349
MAT-POS-590ac91e-39
0.346
MAT-POS-590ac91e-38
0.346
ALP-POS-bea7b391-2
0.345
MAT-POS-590ac91e-53
0.342
BEN-DND-b89db3f2-4
0.337
ALP-POS-bea7b391-3
0.336
DAR-DIA-8e329c92-7
0.336
ERI-UCB-ce40166b-14
0.336
DAR-DIA-1a77c53a-2
0.333
DAR-DIA-8e329c92-8
0.333
EDJ-MED-d1cd9639-2
0.333
EDJ-MED-edeb0d3a-1
0.330
BEN-DND-b89db3f2-5
0.330
DAR-DIA-1a77c53a-1
0.330
DAR-DIA-1a77c53a-20
0.327
ERI-UCB-ce40166b-13
0.327
ERI-UCB-ce40166b-16
0.324
DAR-DIA-1a77c53a-9
0.321
DAR-DIA-1a77c53a-3
0.316
DAR-DIA-1a77c53a-4
0.316
DAR-DIA-1a77c53a-19
0.316
DAR-DIA-1a77c53a-18
0.316
ERI-UCB-ce40166b-19
0.316
MAT-POS-3b536971-2
0.314
ERI-UCB-ce40166b-18
0.313
DAR-DIA-1a77c53a-7
0.312
DAR-DIA-1a77c53a-12
0.308
DAR-DIA-1a77c53a-13
0.308
MAT-UCB-70f7c0f7-4
0.308
DAR-DIA-1a77c53a-17
0.308
DAR-DIA-1a77c53a-8
0.307
ADA-UCB-b1b30a00-2
0.306
DAR-DIA-1a77c53a-24
0.305
DAR-DIA-1a77c53a-10
0.303
DAR-DIA-1a77c53a-11
0.303
DAR-DIA-1a77c53a-14
0.302
ERI-UCB-a0b0dbcb-9
0.301
DAR-DIA-1a77c53a-16
0.301
DAR-DIA-1a77c53a-22
0.301
MAR-UCB-f313ec4d-3
0.300
DAR-DIA-1a77c53a-23
0.299
DAR-DIA-1a77c53a-15
0.298
DAR-DIA-1a77c53a-21
0.298
ALP-POS-3fc1724e-2
0.298
ADA-UCB-6c2cb422-8
0.298
ERI-UCB-ce40166b-17
0.298