Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cc(=O)ccn1C |
MW: | 302.13 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 69.56 |
cLogP: | 1.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-11-17 |
Synthesis Location: | enamine |
Shipped: | 2021-01-20 |
Aliphatic long chain
Filter82_pyridinium
MAT-POS-8fd29122-1
0.534
BEN-DND-7e92b6ca-1
0.534
MAT-POS-916a2c5a-2
0.447
EDJ-MED-6af13d92-1
0.443
EDJ-MED-6af13d92-2
0.443
EDJ-MED-6af13d92-3
0.442
DAR-DIA-8e329c92-3
0.440
MAT-POS-590ac91e-42
0.438
MAT-POS-35d3f55a-2
0.437
JOH-UNI-abfda500-3
0.435
DAR-DIA-8e329c92-2
0.435
DAR-DIA-8e329c92-1
0.430
MAT-POS-590ac91e-32
0.427
MAT-POS-91829f0d-1
0.424
MAR-UCB-f313ec4d-2
0.424
ERI-UCB-ce40166b-25
0.407
MAT-POS-35d3f55a-1
0.378
EDJ-MED-bbe8e3da-2
0.343
EDJ-MED-bbe8e3da-4
0.343
BEN-DND-7e92b6ca-2
0.337
EDJ-MED-bbe8e3da-1
0.337
BEN-DND-b89db3f2-4
0.333
MAT-POS-590ac91e-37
0.323
LOR-NOR-30067bb9-4
0.322
MAT-POS-590ac91e-43
0.320
KEI-TRE-fa9ada3e-3
0.314
MAR-UCB-f313ec4d-1
0.309
MAR-UCB-f313ec4d-3
0.308
VLA-UNK-eaa804fd-3
0.306
ALP-POS-05819dc4-1
0.303
EDJ-MED-edeb0d3a-2
0.303
MAT-POS-3b536971-1
0.303
VLA-UNK-eaa804fd-4
0.302
EDJ-MED-bbe8e3da-3
0.300
DAR-DIA-8e329c92-6
0.296
MAT-POS-54c4bf04-2
0.293
ALP-POS-3fc1724e-1
0.290
ALP-POS-fc6c627f-3
0.283
DAR-DIA-9e4459de-23
0.283
DAR-DIA-9e4459de-18
0.281
DAR-DIA-9e4459de-21
0.281
DAR-DIA-9e4459de-22
0.281
DAR-DIA-8e329c92-4
0.280
VLA-UNK-eaa804fd-5
0.278
VLA-UNK-eaa804fd-1
0.278
VLA-UNK-eaa804fd-2
0.278
DAR-DIA-9e4459de-17
0.277
DAR-DIA-9e4459de-19
0.273
DAR-DIA-9e4459de-20
0.271
PET-UNK-82544c07-1
0.270
DAR-DIA-8e329c92-5
0.269
DAR-DIA-9e4459de-24
0.269
MAT-POS-590ac91e-40
0.265
MAT-POS-590ac91e-41
0.265
MAT-UCB-70f7c0f7-1
0.264
JUL-TUD-06b2044f-35
0.263
DAR-DIA-8e329c92-7
0.259
DAR-DIA-8e329c92-8
0.259
MAR-TRE-04c86cea-39
0.255
MAR-UCB-f313ec4d-4
0.253
MAT-POS-590ac91e-47
0.248
MAT-POS-590ac91e-53
0.246
MAR-TRE-4f39ef4a-9
0.245
MAR-LAB-ca4662a6-6
0.244
ALP-POS-c0ee8219-7
0.243
BAR-COM-5694a99d-2
0.242
MAT-UCB-70f7c0f7-2
0.241
MAR-TRE-3159af1a-3
0.240
MAT-POS-590ac91e-39
0.240
EDJ-MED-edeb0d3a-1
0.238
LON-WEI-4d77710c-33
0.238
LON-WEI-5e7d1b3e-33
0.238
BEN-DND-b89db3f2-5
0.238
MAR-TRE-3159af1a-34
0.238
MAR-TRE-3159af1a-27
0.238
ALP-POS-c0ee8219-5
0.237
MAT-POS-3b92565d-7
0.237
ANT-STE-dbb91f63-3
0.237
MAT-POS-590ac91e-46
0.237
MAR-TRE-3159af1a-5
0.235
ADA-UCB-6c2cb422-8
0.234
BEN-DND-7e92b6ca-5
0.234
ADA-UCB-6c2cb422-9
0.234
MAR-TRE-fd17a9b8-93
0.233
MAR-TRE-9c797165-81
0.232
MAR-TRE-fd17a9b8-57
0.231
MAT-POS-590ac91e-38
0.229
MAR-TRE-3159af1a-68
0.229
MAR-TRE-4b834d9a-8
0.228
ERI-UCB-ce40166b-15
0.227
MAR-TRE-36bf7dba-46
0.227
LON-WEI-5e7d1b3e-5
0.227
LON-WEI-5e7d1b3e-18
0.227
LON-WEI-4d77710c-5
0.227
LON-WEI-4d77710c-18
0.227
MAR-TRE-3159af1a-98
0.227
EDJ-MED-edeb0d3a-3
0.226
MAR-TRE-4f39ef4a-34
0.225
LON-WEI-5e7d1b3e-1
0.225
LON-WEI-4d77710c-1
0.225