Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1OCCNC(=O)c1cc(=O)[nH]c2cccc(OC)c12 |
MW: | 402.1 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 89.65 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.873922371600277 |
IC50 (µM) - RapidFire: | 0.190025474921216 |
Order Status | |
Ordered: | 2020-11-07 |
Synthesis Location: | moonshot |
Shipped: | 2020-12-02 |
Aliphatic long chain
DAR-DIA-1a77c53a-24
DAR-DIA-1a77c53a-23
DAR-DIA-1a77c53a-21
DAR-DIA-1a77c53a-19
DAR-DIA-1a77c53a-18
DAR-DIA-1a77c53a-17
DAR-DIA-1a77c53a-16
DAR-DIA-1a77c53a-15
DAR-DIA-1a77c53a-13
DAR-DIA-1a77c53a-11
DAR-DIA-1a77c53a-5
DAR-DIA-1a77c53a-4
DAR-DIA-1a77c53a-3
DAR-DIA-1a77c53a-2
DAR-DIA-1a77c53a-1
DAR-DIA-1a77c53a-22
DAR-DIA-1a77c53a-20
DAR-DIA-1a77c53a-14
DAR-DIA-1a77c53a-10
DAR-DIA-1a77c53a-8
DAR-DIA-1a77c53a-6
DAR-DIA-1a77c53a-12
DAR-DIA-1a77c53a-9
DAR-DIA-1a77c53a-7
PET-UNK-6314f867-2
PET-UNK-6314f867-1
PET-UNK-6314f867-3
VLA-UNK-eaa804fd-2
VLA-UNK-eaa804fd-4
VLA-UNK-eaa804fd-3
VLA-UNK-eaa804fd-5
VLA-UNK-eaa804fd-1
MAT-POS-3b536971-1
1.000
EDJ-MED-bbe8e3da-3
0.765
VLA-UNK-eaa804fd-3
0.762
EDJ-MED-6af13d92-3
0.734
EDJ-MED-bbe8e3da-4
0.640
EDJ-MED-bbe8e3da-2
0.640
ALP-POS-05819dc4-1
0.632
EDJ-MED-edeb0d3a-3
0.625
EDJ-MED-bbe8e3da-1
0.600
EDJ-MED-6af13d92-2
0.591
EDJ-MED-6af13d92-1
0.556
BEN-DND-b89db3f2-4
0.518
MAT-POS-590ac91e-42
0.500
MAT-POS-54c4bf04-2
0.484
EDJ-MED-d1cd9639-2
0.479
DAR-DIA-1a77c53a-1
0.474
VLA-UNK-eaa804fd-2
0.457
ALP-POS-bea7b391-2
0.456
DAR-DIA-1a77c53a-18
0.448
MAT-POS-916a2c5a-2
0.447
DAR-DIA-1a77c53a-7
0.447
DAR-DIA-1a77c53a-2
0.446
BEN-DND-b89db3f2-5
0.444
EDJ-MED-edeb0d3a-1
0.444
MAT-POS-3b536971-2
0.443
DAR-DIA-1a77c53a-9
0.442
DAR-DIA-1a77c53a-8
0.438
ALP-POS-3fc1724e-1
0.434
DAR-DIA-1a77c53a-20
0.434
DAR-DIA-1a77c53a-24
0.431
DAR-DIA-1a77c53a-14
0.430
DAR-DIA-1a77c53a-10
0.427
DAR-DIA-1a77c53a-11
0.427
VLA-UNK-eaa804fd-1
0.427
ALP-POS-bea7b391-3
0.419
DAR-DIA-1a77c53a-3
0.418
DAR-DIA-1a77c53a-4
0.418
MAT-POS-590ac91e-32
0.414
DAR-DIA-9e4459de-19
0.413
DAR-DIA-1a77c53a-23
0.413
ALP-POS-fc6c627f-1
0.413
DAR-DIA-1a77c53a-17
0.409
DAR-DIA-9e4459de-23
0.407
DAR-DIA-1a77c53a-13
0.407
DAR-DIA-1a77c53a-12
0.407
DAR-DIA-1a77c53a-19
0.405
DAR-DIA-9e4459de-18
0.404
DAR-DIA-9e4459de-22
0.404
DAR-DIA-1a77c53a-6
0.404
DAR-DIA-1a77c53a-5
0.404
DAR-DIA-9e4459de-20
0.400
MAT-POS-590ac91e-53
0.396
DAR-DIA-9e4459de-21
0.394
MAT-POS-35d3f55a-2
0.394
DAR-DIA-1a77c53a-15
0.393
DAR-DIA-1a77c53a-21
0.393
DAR-DIA-9e4459de-17
0.388
DAR-DIA-9e4459de-24
0.387
DAR-DIA-1a77c53a-22
0.385
DAR-DIA-1a77c53a-16
0.385
NAU-LAT-a5c7d7cb-7
0.384
MAT-UCB-70f7c0f7-1
0.374
MAT-POS-590ac91e-43
0.356
ALP-POS-fc6c627f-3
0.355
ERI-UCB-ce40166b-19
0.345
BEN-DND-7e92b6ca-1
0.344
BEN-DND-7e92b6ca-5
0.344
ERI-UCB-ce40166b-20
0.342
MAT-POS-590ac91e-47
0.339
ERI-UCB-ce40166b-15
0.333
MAT-UCB-70f7c0f7-2
0.333
ERI-UCB-ce40166b-18
0.330
ERI-UCB-ce40166b-16
0.330
VLA-UNK-eaa804fd-5
0.330
MAR-UCB-f313ec4d-4
0.330
MAT-POS-8fd29122-1
0.330
MAT-POS-590ac91e-46
0.328
ERI-UCB-ce40166b-17
0.327
ALP-POS-3fc1724e-2
0.327
EDJ-MED-d1cd9639-1
0.327
DAR-DIA-8e329c92-3
0.327
DAR-DIA-8e329c92-2
0.324
JOH-UNI-abfda500-3
0.324
ERI-UCB-ce40166b-25
0.318
MAT-POS-e1b5ac6b-2
0.317
MAT-POS-3b92565d-4
0.317
VLA-UNK-eaa804fd-4
0.314
MAR-UCB-f313ec4d-2
0.314
MAT-POS-91829f0d-1
0.314
ERI-UCB-ce40166b-13
0.310
BEN-DND-7e92b6ca-2
0.308
DAR-DIA-8e329c92-1
0.308
ALP-POS-fc6c627f-2
0.308
ERI-UCB-ce40166b-14
0.307
PET-UNK-752bebd6-1
0.303
MAT-POS-590ac91e-37
0.296
DAR-DIA-8e329c92-6
0.296
MAR-UCB-f313ec4d-1
0.295
ALP-POS-19e898d3-1
0.294
ADA-UCB-6c2cb422-8
0.293