Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NCCc1cccc(F)c1)c1cncc(Cl)c1 |
MW: | 505.12 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.3 |
cLogP: | 5.51 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-547-967 |
Activity Data | |
IC50 (µM) - Fluorescence: | 23.9215056444618 |
IC50 (µM) - RapidFire: | 4.84250738377725 |
Trypsin IC50 (µM): | 99.0 |
Order Status | |
Ordered: | 2020-06-15 |
Synthesis Location: | enamine |
Shipped: | 2020-06-16 |
high halogen content (>3)
Long aliphatic chain
LON-WEI-babf2c61-1
0.874
LON-WEI-babf2c61-6
0.830
LON-WEI-babf2c61-8
0.791
LON-WEI-babf2c61-7
0.750
LON-WEI-babf2c61-9
0.731
LON-WEI-babf2c61-2
0.720
LON-WEI-babf2c61-4
0.695
LON-WEI-babf2c61-3
0.653
LON-WEI-babf2c61-11
0.644
LON-POS-586a7c45-1
0.633
LON-WEI-adc59df6-47
0.633
PAU-WEI-5b8d5051-1
0.633
LON-WEI-adc59df6-53
0.543
LON-WEI-babf2c61-13
0.538
NIM-NMI-8bb27a2b-27
0.514
NIM-NMI-8bb27a2b-16
0.505
LON-WEI-babf2c61-12
0.505
ALP-POS-02c6a514-26
0.500
LON-WEI-2e27a2e5-2
0.500
ALP-POS-02c6a514-11
0.495
NIM-NMI-8bb27a2b-24
0.495
DAR-DIA-48c639f7-15
0.491
MAT-POS-f2460aef-4
0.482
PET-UNK-7d68125a-3
0.482
PET-UNK-7d68125a-2
0.482
NIM-NMI-8bb27a2b-28
0.481
LON-WEI-babf2c61-14
0.478
DAR-DIA-48c639f7-11
0.478
WIL-UNI-a125ac6f-1
0.475
MAT-POS-f2460aef-2
0.473
MAT-POS-f2460aef-1
0.473
ALP-POS-95f71980-21
0.473
LON-WEI-2e27a2e5-1
0.473
PET-UNK-48ab5cd7-6
0.470
LON-WEI-babf2c61-10
0.468
PAU-WEI-5b8d5051-2
0.468
NIM-NMI-8bb27a2b-19
0.466
ALP-POS-305f6ec3-19
0.466
ALP-POS-95f71980-23
0.465
ALP-POS-02c6a514-12
0.464
NIM-NMI-8bb27a2b-20
0.462
ALP-POS-305f6ec3-3
0.461
PET-UNK-48ab5cd7-3
0.460
PET-UNK-7d68125a-1
0.460
ALP-POS-305f6ec3-41
0.460
PET-UNK-7d68125a-4
0.459
RAL-MED-9a5eb9cb-10
0.459
PET-UNK-48ab5cd7-1
0.456
MAT-POS-f2460aef-5
0.456
ALP-POS-02c6a514-25
0.456
ALP-POS-305f6ec3-6
0.456
ALP-POS-95f71980-25
0.456
ALP-POS-95f71980-17
0.455
ALP-POS-d0876c20-17
0.455
ALP-POS-95f71980-2
0.455
DAR-DIA-48c639f7-12
0.453
DAR-DIA-48c639f7-18
0.453
DAR-DIA-48c639f7-16
0.453
ALP-POS-02c6a514-33
0.452
ALP-POS-95f71980-29
0.452
ALP-POS-305f6ec3-59
0.451
ALP-POS-305f6ec3-49
0.451
ALP-POS-95f71980-4
0.451
ALP-POS-02c6a514-52
0.451
JOE-NOR-4e4adc6b-1
0.451
CHE-UNK-ae827f53-1
0.450
NIM-NMI-8bb27a2b-23
0.449
NIM-NMI-8bb27a2b-18
0.449
ALP-POS-305f6ec3-38
0.448
ALP-POS-305f6ec3-40
0.448
ALP-POS-305f6ec3-27
0.447
ALP-POS-02c6a514-22
0.447
ALP-POS-305f6ec3-46
0.447
ALP-POS-305f6ec3-44
0.447
PET-UNK-48ab5cd7-2
0.447
ALP-POS-305f6ec3-10
0.446
RAL-MED-9a5eb9cb-12
0.446
ERI-UCB-fbdd3ea1-4
0.446
ALP-POS-305f6ec3-48
0.443
ALP-POS-02c6a514-49
0.443
ALP-POS-95f71980-24
0.443
ALP-POS-305f6ec3-55
0.443
MAT-POS-f2460aef-3
0.443
ALP-POS-305f6ec3-14
0.443
ALP-POS-02c6a514-6
0.443
ALP-POS-02c6a514-50
0.443
ALP-UNI-c3ef0aba-3
0.443
ALP-POS-02c6a514-46
0.443
ALP-POS-95f71980-7
0.443
ALP-POS-95f71980-22
0.443
MAT-POS-c0143b99-1
0.442
ALF-EVA-719172df-6
0.441
ALP-POS-305f6ec3-20
0.441
ALP-POS-305f6ec3-54
0.441
ALP-POS-95f71980-18
0.441
MAT-POS-02ae579f-1
0.440
ALF-EVA-719172df-7
0.440
ALP-POS-305f6ec3-56
0.440
ALP-POS-305f6ec3-2
0.440
ALP-POS-95f71980-6
0.440