Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 |
MW: | 533.19 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 5.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-36
1.000
ALP-POS-02c6a514-47
0.673
ALP-POS-b0bc6a46-28
0.673
ALP-POS-b0bc6a46-26
0.655
ALP-POS-02c6a514-42
0.655
MIC-UNK-8686cf1d-3
0.642
MIC-UNK-8686cf1d-7
0.631
MIC-UNK-8686cf1d-1
0.625
MIC-UNK-8686cf1d-4
0.614
MIC-UNK-8686cf1d-5
0.609
MIC-UNK-8686cf1d-8
0.609
KHR-WEI-75c61062-2
0.596
ALP-POS-b0bc6a46-4
0.595
ALP-POS-02c6a514-4
0.595
ALP-POS-02c6a514-15
0.591
ALP-POS-b0bc6a46-9
0.591
KHR-WEI-75c61062-1
0.590
ALP-POS-02c6a514-5
0.586
ALP-POS-b0bc6a46-5
0.586
ALF-EVA-719172df-6
0.581
ALP-POS-b0bc6a46-23
0.575
ALP-POS-02c6a514-38
0.575
PET-UNK-48ab5cd7-5
0.573
MAT-POS-f2460aef-2
0.570
MAT-POS-f2460aef-1
0.570
LON-WEI-2e27a2e5-1
0.570
ALP-POS-b0bc6a46-22
0.565
ALP-POS-02c6a514-37
0.565
ALP-POS-e980f4ea-2
0.562
ALP-POS-02c6a514-39
0.560
ALP-POS-b0bc6a46-24
0.560
ALP-POS-02c6a514-2
0.557
ALP-POS-b0bc6a46-2
0.557
ALP-POS-02c6a514-16
0.557
ALP-POS-b0bc6a46-10
0.557
ALP-POS-e980f4ea-22
0.555
ALP-POS-e980f4ea-13
0.555
BRU-THA-92256091-2
0.554
MIC-UNK-8686cf1d-9
0.550
ALP-POS-02c6a514-20
0.550
ALP-POS-b0bc6a46-12
0.550
ALP-POS-ced8ea4d-13
0.549
ALP-POS-02c6a514-8
0.549
ALP-POS-b0bc6a46-7
0.549
ALP-POS-b0bc6a46-11
0.549
ALP-POS-02c6a514-18
0.549
ALP-POS-e980f4ea-66
0.549
ALP-POS-ced8ea4d-22
0.549
BRU-THA-92256091-39
0.548
ALP-POS-ced8ea4d-2
0.548
PAU-WEI-ca14c437-1
0.545
ALP-POS-e980f4ea-43
0.543
BRU-THA-92256091-9
0.540
BRU-THA-92256091-13
0.540
BRU-THA-92256091-38
0.539
ALP-POS-e980f4ea-14
0.539
ALP-POS-e980f4ea-42
0.538
ALP-POS-e980f4ea-60
0.538
PET-UNK-48ab5cd7-4
0.536
PAU-WEI-d9f77348-1
0.535
PET-UNK-48ab5cd7-6
0.535
BRU-THA-92256091-69
0.534
ALP-POS-e980f4ea-55
0.534
ALP-POS-b0bc6a46-8
0.531
ALP-POS-02c6a514-14
0.531
ALP-POS-e980f4ea-56
0.530
ALP-POS-ced8ea4d-66
0.526
BRU-THA-92256091-1
0.526
BRU-THA-92256091-71
0.525
ALP-POS-b0bc6a46-6
0.522
ALP-POS-02c6a514-7
0.522
ALP-POS-02c6a514-41
0.522
ALP-POS-b0bc6a46-25
0.522
BRU-THA-92256091-25
0.521
MIC-UNK-8686cf1d-2
0.521
ALP-POS-02c6a514-24
0.521
ALP-POS-b0bc6a46-15
0.521
BRU-THA-92256091-3
0.521
BRU-THA-92256091-5
0.521
BRU-THA-92256091-10
0.521
ALP-POS-e980f4ea-45
0.521
BRU-THA-92256091-29
0.521
BRU-THA-92256091-72
0.521
ALP-POS-02c6a514-1
0.521
ALP-POS-b0bc6a46-1
0.521
BRU-THA-92256091-74
0.521
ALP-POS-e980f4ea-31
0.521
ALP-POS-ced8ea4d-55
0.521
ALP-POS-e980f4ea-6
0.517
MIC-UNK-96659df2-7
0.517
ALP-POS-ced8ea4d-14
0.517
ALP-POS-ced8ea4d-43
0.517
BRU-THA-92256091-81
0.517
BRU-THA-92256091-82
0.517
ALP-POS-ced8ea4d-45
0.513
ALP-POS-b0bc6a46-29
0.513
ALP-POS-e980f4ea-61
0.513
ALP-POS-02c6a514-58
0.513
ALP-POS-02c6a514-10
0.512
ALP-POS-e980f4ea-57
0.512