Molecular Properties | |
SMILES: | COC(=O)C(C)(CN(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1)c1ccccc1F |
MW: | 561.21 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 11 |
TPSA: | 101.74 |
cLogP: | 4.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Ester
Long aliphatic chain
ALP-POS-b0bc6a46-29
1.000
KHR-WEI-75c61062-1
0.646
ALP-POS-b0bc6a46-2
0.641
ALP-POS-02c6a514-2
0.641
MIC-UNK-8686cf1d-9
0.602
KHR-WEI-75c61062-2
0.573
ALP-POS-02c6a514-8
0.570
ALP-POS-b0bc6a46-7
0.570
ALP-POS-b0bc6a46-10
0.564
ALP-POS-02c6a514-16
0.564
ALP-POS-b0bc6a46-20
0.551
ALP-POS-02c6a514-35
0.551
MAT-POS-f2460aef-1
0.550
LON-WEI-2e27a2e5-1
0.550
MAT-POS-f2460aef-2
0.550
ALP-POS-b0bc6a46-22
0.545
ALP-POS-02c6a514-37
0.545
ALP-POS-b0bc6a46-12
0.544
ALP-POS-02c6a514-20
0.544
ALP-POS-02c6a514-15
0.543
ALP-POS-b0bc6a46-9
0.543
ALP-POS-02c6a514-14
0.539
ALP-POS-b0bc6a46-8
0.539
ALF-EVA-719172df-6
0.532
PET-UNK-48ab5cd7-4
0.530
ALP-POS-b0bc6a46-25
0.530
ALP-POS-02c6a514-41
0.530
ALP-POS-02c6a514-1
0.529
ALP-POS-b0bc6a46-1
0.529
ALP-POS-b0bc6a46-23
0.527
ALP-POS-02c6a514-38
0.527
ALP-POS-b0bc6a46-11
0.517
PET-UNK-48ab5cd7-6
0.517
ALP-POS-02c6a514-18
0.517
ALP-POS-b0bc6a46-19
0.516
ALP-POS-02c6a514-30
0.516
ALP-POS-02c6a514-39
0.513
ALP-POS-b0bc6a46-24
0.513
PAU-WEI-ca14c437-1
0.513
ALP-POS-02c6a514-36
0.513
ALP-POS-b0bc6a46-21
0.513
ALP-POS-b0bc6a46-28
0.512
ALP-POS-02c6a514-47
0.512
MIC-UNK-8686cf1d-3
0.512
ALP-POS-02c6a514-4
0.508
ALP-POS-b0bc6a46-4
0.508
ALP-POS-02c6a514-29
0.508
ALP-POS-b0bc6a46-18
0.508
ALP-POS-02c6a514-24
0.504
ALP-POS-b0bc6a46-15
0.504
MIC-UNK-8686cf1d-7
0.504
ALP-POS-02c6a514-42
0.504
ALP-POS-b0bc6a46-26
0.504
MIC-UNK-8686cf1d-1
0.500
ALP-POS-02c6a514-5
0.500
ALP-POS-b0bc6a46-5
0.500
PET-UNK-48ab5cd7-5
0.500
ALP-POS-ced8ea4d-64
0.500
MIC-UNK-96659df2-7
0.500
BRU-THA-92256091-7
0.496
MIC-UNK-8686cf1d-4
0.492
ALP-POS-02c6a514-28
0.492
ALP-POS-b0bc6a46-17
0.492
MIC-UNK-8686cf1d-2
0.492
PAU-WEI-d9f77348-1
0.492
ALP-POS-b0bc6a46-6
0.492
ALP-POS-02c6a514-7
0.492
MIC-UNK-8686cf1d-5
0.488
MIC-UNK-96659df2-6
0.488
MIC-UNK-8686cf1d-8
0.488
ALP-POS-e980f4ea-64
0.487
ALP-POS-ced8ea4d-7
0.487
ALP-POS-02c6a514-10
0.484
MIC-UNK-8686cf1d-6
0.484
BRU-THA-92256091-11
0.482
MIC-UNK-96659df2-8
0.480
ALP-POS-b0bc6a46-3
0.480
ALP-POS-02c6a514-3
0.480
ALP-POS-02c6a514-12
0.475
ALP-POS-e980f4ea-7
0.474
BRU-THA-92256091-27
0.471
ALP-POS-02c6a514-43
0.470
ALP-POS-b0bc6a46-27
0.470
LON-WEI-2e27a2e5-2
0.470
MIC-UNK-96659df2-5
0.469
ALP-POS-ced8ea4d-41
0.467
ALP-POS-e980f4ea-41
0.467
LON-WEI-babf2c61-10
0.466
PAU-WEI-5b8d5051-1
0.466
PAU-WEI-5b8d5051-2
0.466
ALP-POS-02c6a514-11
0.466
LON-POS-586a7c45-1
0.466
LON-WEI-adc59df6-47
0.466
BRU-THA-92256091-28
0.464
ALP-POS-305f6ec3-19
0.463
ALP-POS-02c6a514-52
0.462
ALP-POS-305f6ec3-49
0.462
ALP-POS-305f6ec3-59
0.462
ALP-POS-95f71980-4
0.462
JOE-NOR-4e4adc6b-1
0.462