Molecular Properties | |
SMILES: | COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12 |
MW: | 338.363 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 80.42 |
cLogP: | 2.3455 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_22____58494____59160 |
Mcule: | MCULE-4274089916 |
MolPort: | MolPort-028-825-688 |
Activity Data | |
IC50 (µM) - Fluorescence: | 7.87285486017918 |
IC50 (µM) - RapidFire: | 3.46159502371821 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Shipped: | 2020-04-17 |
Aliphatic long chain
AAR-POS-d2a4d1df-1
JAN-GHE-82a280f8-3
JAN-GHE-82a280f8-2
JAN-GHE-82a280f8-1
MAT-POS-e1b5ac6b-2
MAT-POS-e1b5ac6b-1
MAT-POS-3b92565d-1
MAT-POS-3b92565d-11
MAT-POS-3b92565d-9
MAT-POS-3b92565d-8
MAT-POS-3b92565d-6
MAT-POS-3b92565d-4
MAT-POS-3b92565d-2
MAT-POS-3b92565d-12
MAT-POS-3b92565d-14
MAT-POS-3b92565d-13
MAT-POS-3b92565d-10
MAT-POS-3b92565d-7
MAT-POS-3b92565d-5
MAT-POS-3b92565d-3
DAR-DIA-53551c05-21
DAR-DIA-53551c05-7
DAR-DIA-53551c05-22
DAR-DIA-53551c05-20
DAR-DIA-53551c05-19
DAR-DIA-53551c05-18
DAR-DIA-53551c05-17
DAR-DIA-53551c05-15
DAR-DIA-53551c05-14
DAR-DIA-53551c05-13
DAR-DIA-53551c05-12
DAR-DIA-53551c05-11
DAR-DIA-53551c05-10
DAR-DIA-53551c05-8
DAR-DIA-53551c05-6
DAR-DIA-53551c05-4
DAR-DIA-53551c05-3
DAR-DIA-53551c05-1
DAR-DIA-53551c05-9
DAR-DIA-53551c05-5
DAR-DIA-53551c05-2
DAR-DIA-53551c05-16
MAT-POS-35d3f55a-2
MAT-POS-35d3f55a-1
PET-UNK-752bebd6-1
ALP-POS-05819dc4-1
0.722
ALP-POS-3fc1724e-1
0.700
MAT-POS-590ac91e-32
0.696
MAT-POS-590ac91e-42
0.688
BEN-DND-7e92b6ca-5
0.662
MAT-UCB-70f7c0f7-1
0.621
MAR-UCB-f313ec4d-4
0.617
EDJ-MED-6af13d92-3
0.617
DAR-DIA-8e329c92-6
0.614
BEN-DND-7e92b6ca-2
0.605
NAU-LAT-a5c7d7cb-7
0.598
EDJ-MED-6af13d92-1
0.595
EDJ-MED-6af13d92-2
0.595
DAR-DIA-8e329c92-4
0.588
MAT-UCB-70f7c0f7-2
0.570
DAR-DIA-8e329c92-5
0.562
DAR-DIA-8e329c92-3
0.561
ERI-UCB-ce40166b-15
0.560
DAR-DIA-8e329c92-2
0.554
JOH-UNI-abfda500-3
0.554
ERI-UCB-ce40166b-13
0.543
DAR-DIA-8e329c92-7
0.538
ALP-POS-fc6c627f-3
0.538
ERI-UCB-ce40166b-14
0.538
ERI-UCB-ce40166b-16
0.538
MAT-POS-35d3f55a-2
0.535
ERI-UCB-ce40166b-25
0.534
DAR-DIA-8e329c92-1
0.529
BEN-DND-7e92b6ca-4
0.525
MAT-UCB-70f7c0f7-4
0.517
ALP-POS-3fc1724e-2
0.516
ERI-UCB-ce40166b-17
0.516
ERI-UCB-ce40166b-18
0.515
BEN-DND-7e92b6ca-3
0.512
DAR-DIA-8e329c92-8
0.510
BEN-DND-7e92b6ca-1
0.506
MAR-UCB-f313ec4d-2
0.506
MAT-POS-91829f0d-1
0.506
ADA-UCB-b1b30a00-2
0.505
EDJ-MED-bbe8e3da-4
0.505
ERI-UCB-ce40166b-19
0.505
DAR-DIA-8e329c92-10
0.500
ERI-UCB-ce40166b-20
0.500
ADA-UCB-b1b30a00-1
0.494
MAR-UCB-f313ec4d-1
0.494
EDJ-MED-bbe8e3da-2
0.489
MAT-UCB-70f7c0f7-3
0.489
DAR-DIA-8e329c92-9
0.488
MAT-POS-8fd29122-1
0.487
EDJ-MED-bbe8e3da-1
0.475
ALP-UNI-ed5cdfd2-7
0.460
BEN-DND-b89db3f2-5
0.457
EDJ-MED-edeb0d3a-1
0.457
DAR-DIA-8e329c92-11
0.452
PET-UNK-752bebd6-1
0.447
MAT-POS-590ac91e-41
0.447
MAT-POS-3b536971-1
0.447
EDJ-MED-edeb0d3a-2
0.447
ERI-UCB-a0b0dbcb-9
0.444
EDJ-MED-bbe8e3da-3
0.442
DAR-DIA-8e329c92-12
0.439
VLA-UNK-eaa804fd-3
0.436
MAT-POS-590ac91e-43
0.436
MAT-POS-54c4bf04-1
0.435
MAT-POS-590ac91e-40
0.432
MAT-POS-590ac91e-37
0.426
ERI-UCB-a0b0dbcb-6
0.417
DAR-DIA-8e329c92-13
0.415
BEN-DND-7e92b6ca-13
0.413
NAU-LAT-56d5284e-6
0.411
MAT-POS-590ac91e-47
0.410
MAT-POS-590ac91e-46
0.410
ERI-UCB-a0b0dbcb-8
0.406
MAT-POS-590ac91e-53
0.406
MAT-POS-590ac91e-39
0.402
MAT-POS-590ac91e-38
0.402
ERI-UCB-a0b0dbcb-5
0.400
ADA-UCB-6c2cb422-8
0.398
KRI-MAR-d2e3ef86-15
0.394
JAN-GHE-82a280f8-3
0.384
DAR-DIA-9e4459de-23
0.383
KRI-MAR-d2e3ef86-12
0.383
DAR-DIA-9e4459de-21
0.381
DAR-DIA-9e4459de-22
0.381
MAT-POS-35d3f55a-1
0.379
ALP-UNI-ed5cdfd2-5
0.379
NAU-LAT-56d5284e-7
0.379
EDJ-MED-d1cd9639-1
0.374
ALP-UNI-ed5cdfd2-6
0.371
DAR-DIA-9e4459de-18
0.370
JAN-GHE-82a280f8-2
0.370
ALP-UNI-ed5cdfd2-4
0.368
NAU-LAT-56d5284e-4
0.367
DAR-DIA-9e4459de-17
0.365
ALP-UNI-ed5cdfd2-8
0.365
DAR-DIA-9e4459de-24
0.364
BEN-DND-7e92b6ca-6
0.364
MAT-POS-54c4bf04-2
0.364
DAR-DIA-9e4459de-19
0.360
DAR-DIA-9e4459de-20
0.357