Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cc(N)cc2ccccc12 |
MW: | 336.15 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 73.58 |
cLogP: | 3.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2021-01-28 |
Aliphatic long chain
aniline
β-Aminonaphtalenes
aniline
analine
DAR-DIA-8e329c92-2
1.000
DAR-DIA-8e329c92-3
0.716
DAR-DIA-8e329c92-1
0.613
MAR-UCB-f313ec4d-2
0.588
MAT-POS-91829f0d-1
0.588
MAT-POS-916a2c5a-2
0.554
MAT-POS-590ac91e-32
0.494
MAT-POS-590ac91e-42
0.489
EDJ-MED-6af13d92-3
0.461
BEN-DND-7e92b6ca-1
0.457
MAT-POS-8fd29122-1
0.457
MAT-POS-35d3f55a-2
0.456
EDJ-MED-6af13d92-1
0.446
EDJ-MED-6af13d92-2
0.446
PET-UNK-752bebd6-1
0.435
MAT-POS-54c4bf04-2
0.426
ERI-UCB-ce40166b-25
0.411
ALP-POS-3fc1724e-1
0.392
ALP-POS-05819dc4-1
0.392
EDJ-MED-bbe8e3da-4
0.376
EDJ-MED-bbe8e3da-2
0.376
MAR-UCB-f313ec4d-3
0.374
EDJ-MED-bbe8e3da-1
0.355
MAT-POS-35d3f55a-1
0.354
MAT-UCB-70f7c0f7-1
0.346
BEN-DND-7e92b6ca-2
0.344
DAR-DIA-8e329c92-6
0.330
MAR-UCB-f313ec4d-1
0.330
BEN-DND-7e92b6ca-5
0.326
EDJ-MED-edeb0d3a-2
0.324
MAT-POS-3b536971-1
0.324
EDJ-MED-bbe8e3da-3
0.320
DAR-DIA-9e4459de-22
0.314
VLA-UNK-eaa804fd-3
0.314
DAR-DIA-8e329c92-4
0.314
MAR-UCB-f313ec4d-4
0.313
MAT-POS-590ac91e-41
0.311
DAR-DIA-9e4459de-23
0.307
MAT-UCB-70f7c0f7-2
0.306
DAR-DIA-9e4459de-21
0.305
DAR-DIA-9e4459de-18
0.305
MAT-POS-590ac91e-37
0.304
ALP-POS-fc6c627f-3
0.303
DAR-DIA-8e329c92-5
0.302
MAT-POS-590ac91e-43
0.301
MAT-POS-590ac91e-47
0.301
NAU-LAT-a5c7d7cb-7
0.300
DAR-DIA-9e4459de-19
0.297
ERI-UCB-ce40166b-15
0.294
DAR-DIA-9e4459de-17
0.292
DAR-DIA-8e329c92-7
0.291
DAR-DIA-8e329c92-8
0.289
DAR-DIA-9e4459de-20
0.286
MAT-POS-590ac91e-39
0.286
MAT-POS-590ac91e-40
0.286
BEN-DND-b89db3f2-4
0.284
DAR-DIA-9e4459de-24
0.284
ERI-UCB-ce40166b-13
0.282
UNK-UNK-2ede4078-34
0.280
ERI-UCB-ce40166b-14
0.279
ERI-UCB-ce40166b-16
0.279
MAT-POS-590ac91e-46
0.278
ALP-POS-d7944b10-16
0.278
MAT-POS-590ac91e-53
0.276
KEI-TRE-fa9ada3e-3
0.273
RED-RED-10c9212c-27
0.271
MAR-TRE-92684b97-96
0.271
ERI-UCB-ce40166b-18
0.270
ALP-POS-3fc1724e-2
0.265
ERI-UCB-ce40166b-17
0.265
VLA-UNK-eaa804fd-2
0.262
VLA-UNK-eaa804fd-1
0.262
MAT-POS-590ac91e-38
0.262
ERI-UCB-ce40166b-19
0.261
ALP-POS-76eab5ce-2
0.260
MAT-UCB-70f7c0f7-4
0.260
VLA-UNK-eaa804fd-4
0.260
ADA-UCB-b1b30a00-2
0.259
ERI-UCB-ce40166b-20
0.259
BAR-COM-4e090d3a-22
0.257
DAR-DIA-8e329c92-9
0.257
NAU-LAT-0543f7f2-10
0.256
ADA-UCB-6c2cb422-8
0.254
BAR-COM-5694a99d-2
0.253
MIC-UNK-b9827f26-4
0.252
VLA-UNK-eaa804fd-5
0.250
LOR-NOR-30067bb9-4
0.250
MAR-TRE-36bf7dba-46
0.250
BEN-DND-b89db3f2-5
0.248
MAT-UCB-70f7c0f7-3
0.248
EDJ-MED-edeb0d3a-1
0.248
BEN-DND-7e92b6ca-3
0.248
RAL-THA-2d450e86-39
0.247
MAR-TRE-fd17a9b8-22
0.245
STE-KUL-2e0d2e88-2
0.245
ADA-UCB-6c2cb422-9
0.243
MAR-LAB-ca4662a6-6
0.242
NAU-LAT-0543f7f2-9
0.241
MAR-TRE-c8530538-97
0.241
MAR-TRE-04c86cea-39
0.241