Molecular Properties | |
SMILES: | O=C(NCCOc1ccccc1)c1cc(=O)[nH]c2ccccc12 |
MW: | 308.12 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.19 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____58662____59160 |
MolPort: | MolPort-047-549-368 |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-05-17 |
Synthesis Location: | enamine |
Shipped: | 2020-06-10 |
Aliphatic long chain
AAR-POS-d2a4d1df-1
NAU-LAT-a5c7d7cb-7
0.746
MAT-POS-916a2c5a-2
0.662
ERI-UCB-ce40166b-13
0.646
ERI-UCB-ce40166b-15
0.646
ERI-UCB-ce40166b-14
0.639
ERI-UCB-ce40166b-16
0.639
BEN-DND-7e92b6ca-4
0.620
ALP-POS-3fc1724e-1
0.613
ALP-POS-05819dc4-1
0.613
ERI-UCB-ce40166b-17
0.612
ALP-POS-3fc1724e-2
0.612
ERI-UCB-ce40166b-20
0.609
ERI-UCB-ce40166b-19
0.598
ERI-UCB-ce40166b-18
0.591
BEN-DND-7e92b6ca-3
0.579
MAT-UCB-70f7c0f7-1
0.576
MAT-UCB-70f7c0f7-2
0.544
DAR-DIA-8e329c92-9
0.532
MAR-UCB-f313ec4d-4
0.531
ADA-UCB-b1b30a00-1
0.518
DAR-DIA-8e329c92-10
0.506
DAR-DIA-8e329c92-11
0.488
ALP-UNI-ed5cdfd2-7
0.481
DAR-DIA-8e329c92-12
0.473
MAT-POS-54c4bf04-1
0.471
NAU-LAT-56d5284e-6
0.443
DAR-DIA-8e329c92-6
0.443
MAT-POS-590ac91e-32
0.443
MAT-POS-590ac91e-42
0.438
KRI-MAR-d2e3ef86-12
0.430
DAR-DIA-8e329c92-4
0.422
DAR-DIA-8e329c92-13
0.416
JAN-GHE-82a280f8-3
0.413
BEN-DND-7e92b6ca-6
0.412
KRI-MAR-d2e3ef86-15
0.409
NAU-LAT-56d5284e-7
0.409
ALP-UNI-ed5cdfd2-8
0.409
MAT-UCB-70f7c0f7-4
0.404
DAR-DIA-8e329c92-5
0.404
ADA-UCB-b1b30a00-2
0.398
ALP-UNI-ed5cdfd2-4
0.398
BEN-DND-7e92b6ca-2
0.398
NAU-LAT-56d5284e-4
0.396
ALP-UNI-ed5cdfd2-5
0.393
BEN-DND-7e92b6ca-7
0.391
DAR-DIA-8e329c92-7
0.388
ALP-UNI-ed5cdfd2-6
0.385
BEN-DND-7e92b6ca-10
0.384
KRI-MAR-d2e3ef86-5
0.384
MAT-UCB-70f7c0f7-3
0.383
EDJ-MED-78f964c8-1
0.381
MAT-POS-916a2c5a-4
0.381
EDJ-MED-6af13d92-3
0.378
ERI-UCB-a0b0dbcb-1
0.372
EDJ-MED-bbe8e3da-4
0.371
MAT-POS-590ac91e-47
0.369
DAR-DIA-8e329c92-8
0.369
MAT-POS-590ac91e-46
0.369
JAN-GHE-82a280f8-2
0.368
BEN-DND-b89db3f2-5
0.368
EDJ-MED-edeb0d3a-1
0.368
EDJ-MED-6af13d92-1
0.366
EDJ-MED-6af13d92-2
0.366
MAT-POS-590ac91e-53
0.365
DAR-DIA-53551c05-22
0.365
ALP-POS-bea7b391-1
0.365
NAU-LAT-56d5284e-5
0.363
ALP-POS-fc6c627f-3
0.360
MAR-UCB-f313ec4d-5
0.359
BEN-DND-7e92b6ca-12
0.359
NAU-LAT-a5c7d7cb-9
0.359
UNK-UNK-2ede4078-28
0.356
DAR-DIA-53551c05-20
0.356
MAK-UNK-df1a028e-3
0.356
ERI-UCB-a0b0dbcb-12
0.355
ERI-UCB-d6de1f3c-1
0.355
ERI-UCB-a0b0dbcb-11
0.354
BEN-DND-7e92b6ca-16
0.352
BEN-DND-7e92b6ca-11
0.352
KRI-MAR-d2e3ef86-13
0.352
NAU-LAT-56d5284e-1
0.352
ALP-POS-ddb41b15-4
0.350
BEN-DND-7e92b6ca-9
0.348
VLA-UNK-eaa804fd-3
0.347
ALP-POS-3fc1724e-3
0.344
VLA-UCB-eb340134-4
0.344
EDJ-MED-edeb0d3a-2
0.344
MAT-POS-3b536971-1
0.344
EDJ-MED-bbe8e3da-2
0.343
BEN-DND-7e92b6ca-14
0.341
ERI-UCB-a0b0dbcb-2
0.341
MAT-POS-916a2c5a-3
0.340
NAU-LAT-56d5284e-8
0.340
KRI-MAR-d2e3ef86-4
0.340
ERI-UCB-a0b0dbcb-4
0.340
EDJ-MED-bbe8e3da-3
0.340
BEN-DND-7e92b6ca-13
0.337
BEN-DND-7e92b6ca-15
0.337
ERI-UCB-a0b0dbcb-9
0.337
ERI-UCB-a0b0dbcb-14
0.337