Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cncc2ccccc12 |
MW: | 322.13 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 60.45 |
cLogP: | 3.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.24130452816033 |
IC50 (µM) - RapidFire: | 5.78067892421072 |
pIC50 (µM) - Fluorescence | 5.48928016406603 |
Order Status | |
Ordered: | 2020-09-14 |
Synthesis Location: | enamine |
Shipped: | 2020-10-06 |
Aliphatic long chain
MAT-POS-91829f0d-1
1.000
MAT-POS-54c4bf04-2
0.705
DAR-DIA-8e329c92-3
0.595
DAR-DIA-8e329c92-2
0.588
JOH-UNI-abfda500-3
0.588
MAR-UCB-f313ec4d-3
0.531
DAR-DIA-8e329c92-1
0.524
MAT-POS-916a2c5a-2
0.506
EDJ-MED-6af13d92-2
0.451
MAT-POS-590ac91e-32
0.451
EDJ-MED-6af13d92-3
0.449
MAT-POS-590ac91e-42
0.446
BEN-DND-7e92b6ca-1
0.444
MAT-POS-8fd29122-1
0.444
EDJ-MED-6af13d92-1
0.435
MAT-POS-35d3f55a-2
0.429
PET-UNK-752bebd6-1
0.424
ERI-UCB-ce40166b-25
0.415
RAL-THA-2d450e86-39
0.379
EDJ-MED-bbe8e3da-2
0.366
EDJ-MED-bbe8e3da-4
0.366
MIC-UNK-b9827f26-4
0.366
EDJ-MED-bbe8e3da-1
0.358
MAT-POS-35d3f55a-1
0.358
ALP-POS-05819dc4-1
0.354
NAU-LAT-0543f7f2-9
0.353
NAU-LAT-0543f7f2-10
0.348
BEN-DND-7e92b6ca-2
0.347
ALP-POS-3fc1724e-1
0.340
MAT-POS-3b92565d-1
0.337
RAL-THA-2d450e86-29
0.337
MAT-POS-bbbbc21a-1
0.337
MAR-UCB-f313ec4d-1
0.333
RAL-THA-05e671eb-23
0.330
RAL-THA-2d450e86-4
0.326
RAL-THA-2d450e86-11
0.323
BAR-COM-5694a99d-2
0.323
ALP-POS-fc6c627f-3
0.318
DAR-DIA-0587064e-4
0.317
MAR-TRE-92684b97-96
0.315
MAR-UCB-f313ec4d-6
0.315
RAL-THA-05e671eb-19
0.314
MAT-POS-43fe65f4-1
0.314
EDJ-MED-e4b030d8-7
0.314
DAR-DIA-076fb6ea-3
0.314
DAR-DIA-6a508060-4
0.314
MAK-UNK-c749d764-31
0.314
EDJ-MED-edeb0d3a-2
0.314
MAT-POS-3b536971-1
0.314
ALP-POS-3b848b35-1
0.312
MAT-POS-3b92565d-2
0.312
RAL-THA-2d450e86-18
0.312
EDJ-MED-bbe8e3da-3
0.311
ERI-UCB-d6de1f3c-2
0.310
MAK-UNK-6ca90168-25
0.309
MAT-POS-89e65850-3
0.307
MAT-POS-590ac91e-37
0.307
DAR-DIA-8e329c92-6
0.307
DAR-DIA-0587064e-17
0.306
ADA-UCB-dc2b944c-2
0.306
MIC-UNK-b9827f26-2
0.306
MAT-POS-590ac91e-43
0.304
DAR-DIA-8e329c92-4
0.304
DAR-DIA-0587064e-2
0.304
DAR-DIA-0587064e-16
0.304
RAL-THA-1d44ff04-3
0.303
PET-UNK-12d8d43f-2
0.303
RAL-THA-2d450e86-22
0.302
MAT-POS-54c4bf04-3
0.302
VLA-UCB-05e51b3f-17
0.302
RAL-THA-2d450e86-26
0.301
DAR-DIA-0587064e-12
0.300
LON-WEI-af038623-3
0.300
MAT-UCB-70f7c0f7-1
0.299
MIC-UNK-c5a20098-1
0.299
RAL-THA-1d44ff04-4
0.299
RAL-THA-05e671eb-35
0.298
DAR-DIA-9e4459de-21
0.298
DAR-DIA-9e4459de-18
0.298
MAT-POS-de59a476-4
0.297
RAL-THA-1d44ff04-6
0.297
IVS-FNM-f9a14d04-1
0.297
MIC-UNK-b9827f26-1
0.297
DAR-DIA-0d514e7d-1
0.296
DAR-DIA-0d514e7d-2
0.296
MAT-POS-fce787c2-1
0.296
MIC-UNK-b9827f26-5
0.295
NIR-WEI-75ed5c39-1
0.295
RAL-THA-2d450e86-8
0.295
MIC-UNK-02d7a284-3
0.295
DAR-DIA-9e4459de-17
0.294
ERI-UCB-ce40166b-16
0.294
ADA-UCB-6c2cb422-1
0.293
MAK-UNK-919546f0-5
0.292
RAL-THA-2d450e86-3
0.292
MIC-UNK-25b9c114-1
0.292
DAR-DIA-9e4459de-23
0.291
VLA-UNK-b9c208fe-2
0.290
RAL-THA-2d450e86-13
0.290
RAL-THA-2d450e86-34
0.290