Molecular Properties | |
SMILES: | COc1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1OCCO |
MW: | 533.2 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 12 |
TPSA: | 114.13 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-29
1.000
ALP-POS-02c6a514-37
0.713
ALP-POS-b0bc6a46-22
0.713
ALF-EVA-719172df-6
0.667
ALP-POS-b0bc6a46-23
0.660
ALP-POS-02c6a514-38
0.660
ALP-POS-b0bc6a46-6
0.657
ALP-POS-02c6a514-7
0.657
PAU-WEI-ca14c437-1
0.654
MAT-POS-f2460aef-1
0.654
LON-WEI-2e27a2e5-1
0.654
MAT-POS-f2460aef-2
0.654
PAU-WEI-d9f77348-1
0.642
ALP-POS-b0bc6a46-11
0.642
ALP-POS-02c6a514-18
0.642
ALP-POS-b0bc6a46-14
0.642
ALP-POS-02c6a514-23
0.642
ALP-POS-02c6a514-39
0.642
ALP-POS-b0bc6a46-24
0.642
ALP-POS-02c6a514-14
0.639
ALP-POS-b0bc6a46-8
0.639
ALP-POS-b0bc6a46-25
0.627
ALP-POS-02c6a514-41
0.627
MIC-UNK-8686cf1d-2
0.625
PET-UNK-48ab5cd7-5
0.624
MIC-UNK-8686cf1d-6
0.614
PET-UNK-48ab5cd7-6
0.613
ALP-POS-02c6a514-5
0.607
ALP-POS-b0bc6a46-5
0.607
ALP-POS-b0bc6a46-27
0.602
ALP-POS-02c6a514-43
0.602
ALP-POS-02c6a514-20
0.600
ALP-POS-b0bc6a46-12
0.600
KHR-WEI-75c61062-1
0.598
KHR-WEI-75c61062-2
0.588
PET-UNK-48ab5cd7-4
0.586
RYA-UNI-f4a878f6-1
0.581
ALP-POS-b0bc6a46-13
0.570
ALP-POS-02c6a514-21
0.570
RYA-UNI-c3f66fb2-1
0.565
ALP-POS-b0bc6a46-2
0.565
ALP-POS-02c6a514-2
0.565
ALP-POS-02c6a514-3
0.555
ALP-POS-b0bc6a46-3
0.555
ALP-POS-02c6a514-27
0.552
ALP-POS-b0bc6a46-16
0.552
MIC-UNK-96659df2-7
0.551
ALP-POS-ced8ea4d-50
0.549
ALP-POS-ced8ea4d-19
0.548
MIC-UNK-8686cf1d-9
0.545
ALP-POS-b0bc6a46-9
0.543
ALP-POS-02c6a514-15
0.543
MIC-UNK-96659df2-8
0.541
ALP-POS-b0bc6a46-17
0.541
ALP-POS-02c6a514-28
0.541
ALP-POS-02c6a514-12
0.540
BRU-THA-92256091-19
0.539
ALP-POS-02c6a514-40
0.538
MIC-UNK-96659df2-6
0.537
BRU-THA-92256091-44
0.537
ALP-POS-e980f4ea-19
0.535
ALP-POS-ced8ea4d-44
0.533
ALP-POS-e980f4ea-50
0.533
MAT-POS-f2460aef-4
0.530
ALP-POS-02c6a514-25
0.530
ALP-POS-b0bc6a46-15
0.529
ALP-POS-02c6a514-24
0.529
ALP-POS-305f6ec3-49
0.526
ALP-POS-305f6ec3-19
0.525
ALP-POS-95f71980-21
0.522
ALP-POS-b0bc6a46-4
0.521
ALP-POS-02c6a514-4
0.521
BRU-THA-92256091-42
0.521
DAR-DIA-48c639f7-17
0.517
ALP-POS-ced8ea4d-67
0.517
ALP-POS-e980f4ea-44
0.517
MIC-UNK-96659df2-5
0.516
ALP-POS-95f71980-4
0.513
ALP-POS-95f71980-6
0.513
ALP-POS-95f71980-23
0.513
ALP-POS-e980f4ea-67
0.513
ALP-POS-ced8ea4d-49
0.513
ALP-POS-ced8ea4d-52
0.513
ALP-POS-ced8ea4d-39
0.513
ALP-POS-02c6a514-13
0.513
LON-WEI-2e27a2e5-2
0.509
ALP-POS-02c6a514-26
0.509
ALP-POS-ced8ea4d-27
0.509
PET-UNK-48ab5cd7-2
0.509
PET-UNK-48ab5cd7-3
0.509
BRU-THA-92256091-18
0.508
ALP-POS-e980f4ea-39
0.508
ALP-POS-e980f4ea-49
0.508
ALP-POS-305f6ec3-4
0.508
ALP-POS-b0bc6a46-29
0.508
ALP-POS-02c6a514-58
0.508
PAU-WEI-5b8d5051-1
0.504
ALP-POS-02c6a514-11
0.504
LON-WEI-adc59df6-47
0.504
LON-POS-586a7c45-1
0.504