Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)C1CC(=O)Nc2ccccc21 |
MW: | 340.14 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 76.66 |
cLogP: | 2.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6744222201 |
MolPort: | MolPort-009-527-918 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Ordered: | 2020-11-16 |
Synthesis Location: | enamine |
Shipped: | 2020-12-02 |
Aliphatic long chain
MAT-POS-916a2c5a-2
BEN-DND-7e92b6ca-1
0.446
VLA-UNK-eaa804fd-1
0.435
MAT-POS-8fd29122-1
0.412
ERI-UCB-ce40166b-25
0.388
MAT-POS-916a2c5a-2
0.379
PET-UNK-752bebd6-1
0.378
MAT-POS-35d3f55a-2
0.371
UNK-UNK-2ede4078-39
0.365
DAR-DIA-8e329c92-1
0.365
EDJ-MED-6af13d92-1
0.364
EDJ-MED-6af13d92-3
0.361
MAR-UCB-f313ec4d-2
0.358
DAR-DIA-8e329c92-3
0.358
MAT-POS-91829f0d-1
0.358
VLA-UNK-eaa804fd-4
0.357
DAR-DIA-8e329c92-2
0.354
JOH-UNI-abfda500-3
0.354
EDJ-MED-6af13d92-2
0.350
MAT-POS-590ac91e-32
0.350
MAT-POS-590ac91e-42
0.347
MAT-POS-450cb4f9-1
0.333
ROB-UNI-daaf9793-2
0.330
NAU-LAT-a5c7d7cb-14
0.330
TAT-ENA-80bfd3e5-12
0.324
MAT-POS-b5746674-1
0.324
EDJ-MED-bbe8e3da-2
0.306
BEN-DND-7e92b6ca-2
0.297
MAR-UCB-f313ec4d-1
0.297
MAR-UCB-f313ec4d-3
0.296
VLA-UNK-eaa804fd-2
0.294
VLA-UNK-eaa804fd-5
0.294
EDJ-MED-bbe8e3da-4
0.294
DAR-DIA-8e329c92-6
0.286
BAR-COM-0f94fc3d-37
0.283
DAR-DIA-9e4459de-21
0.283
DAR-DIA-9e4459de-22
0.283
ALP-POS-90e38439-1
0.281
RUB-POS-1325a9ea-23
0.281
VLA-UCB-1dbca3b4-1
0.281
NAU-LAT-a5c7d7cb-13
0.281
BEN-DND-b89db3f2-4
0.278
DAR-DIA-9e4459de-23
0.276
DAR-DIA-9e4459de-19
0.275
DAR-DIA-9e4459de-18
0.274
MAT-POS-590ac91e-37
0.274
MAT-POS-590ac91e-43
0.271
DAR-DIA-8e329c92-4
0.271
DAR-DIA-9e4459de-17
0.270
MAT-POS-590ac91e-41
0.269
MAT-POS-8d5af1ef-1
0.269
MIC-UNK-45817b9b-1
0.269
MAT-POS-43c25e9b-1
0.269
EDJ-MED-a6bd50ad-1
0.269
MAT-POS-43c25e9b-2
0.269
EDJ-MED-bbe8e3da-1
0.267
KEI-TRE-fa9ada3e-3
0.266
MAR-TRE-92684b97-37
0.265
DAR-DIA-9e4459de-20
0.265
DAR-DIA-9e4459de-24
0.263
ALP-POS-fc6c627f-3
0.263
LOR-NOR-30067bb9-4
0.257
ALP-POS-3fc1724e-1
0.257
ALP-POS-05819dc4-1
0.257
MAT-POS-590ac91e-40
0.257
MAT-POS-b5746674-93
0.257
JUL-TUD-06b2044f-42
0.254
MAR-TRE-04c86cea-25
0.252
DAR-DIA-8e329c92-8
0.252
DAR-DIA-8e329c92-5
0.250
MAR-TRE-f6f5f473-14
0.250
MAR-TRE-4b834d9a-58
0.248
VLA-UNK-eaa804fd-3
0.248
MAR-TRE-a3327163-59
0.247
MAR-TRE-d0525fbf-38
0.246
MAR-TRE-74c6519b-45
0.246
MEL-NAT-8c3652c8-6
0.246
EDJ-MED-edeb0d3a-2
0.245
MAT-POS-3b536971-1
0.245
VLA-UNK-56836b69-1
0.245
MIC-UNK-8758c41d-3
0.245
ALP-POS-fe871b40-16
0.245
RUB-POS-1325a9ea-24
0.245
MAR-TRE-b77b7921-19
0.244
EDJ-MED-bbe8e3da-3
0.243
MAR-TRE-d0525fbf-43
0.243
DAR-DIA-8e329c92-7
0.241
ALP-POS-fe871b40-14
0.241
MAR-TRE-92684b97-28
0.240
RAF-POL-9fce0577-2
0.240
MAR-TRE-d0525fbf-70
0.239
ALP-POS-fe871b40-15
0.239
MAR-UNI-cd28c081-1
0.239
MAT-POS-54c4bf04-2
0.236
MAT-UCB-70f7c0f7-1
0.235
MAR-TRE-4b834d9a-8
0.234
MAR-TRE-4b834d9a-68
0.233
JUL-TUD-06b2044f-41
0.233
MAR-TRE-4b834d9a-70
0.232
ADA-UCB-b1b30a00-2
0.232
MAT-UCB-70f7c0f7-4
0.231