Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)C1CCCC(c2ccc(F)c(F)c2)C1 |
MW: | 561.22 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 6.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-b0bc6a46-26
1.000
ALP-POS-b0bc6a46-21
0.655
ALP-POS-02c6a514-36
0.655
ALP-POS-b0bc6a46-28
0.652
ALP-POS-02c6a514-47
0.652
MIC-UNK-8686cf1d-3
0.610
MIC-UNK-8686cf1d-4
0.598
MIC-UNK-8686cf1d-1
0.595
MIC-UNK-8686cf1d-7
0.574
MIC-UNK-8686cf1d-8
0.568
BRU-THA-92256091-71
0.566
ALP-POS-02c6a514-15
0.563
ALP-POS-b0bc6a46-9
0.563
ALP-POS-b0bc6a46-5
0.558
ALP-POS-02c6a514-5
0.558
ALP-POS-02c6a514-16
0.557
ALP-POS-b0bc6a46-10
0.557
MIC-UNK-8686cf1d-5
0.556
BRU-THA-92256091-38
0.541
ALP-POS-b0bc6a46-4
0.541
ALP-POS-02c6a514-4
0.541
ALP-POS-e980f4ea-2
0.537
ALP-POS-ced8ea4d-2
0.537
KHR-WEI-75c61062-2
0.536
KHR-WEI-75c61062-1
0.532
ALP-POS-e980f4ea-22
0.529
ALP-POS-e980f4ea-13
0.529
BRU-THA-92256091-9
0.529
BRU-THA-92256091-13
0.529
ALP-POS-ced8ea4d-13
0.525
ALP-POS-ced8ea4d-22
0.525
BRU-THA-92256091-10
0.524
BRU-THA-92256091-69
0.524
ALP-POS-e980f4ea-14
0.516
MIC-UNK-8686cf1d-9
0.513
BRU-THA-92256091-3
0.512
BRU-THA-92256091-5
0.512
BRU-THA-92256091-29
0.512
ALP-POS-ced8ea4d-14
0.508
ALP-POS-e980f4ea-43
0.508
BRU-THA-92256091-33
0.508
ALP-POS-02c6a514-2
0.504
ALP-POS-b0bc6a46-2
0.504
BRU-THA-92256091-2
0.504
BRU-THA-92256091-1
0.504
ALP-POS-e980f4ea-42
0.504
ALP-POS-ced8ea4d-45
0.504
ALP-POS-02c6a514-58
0.504
ALP-POS-b0bc6a46-29
0.504
ALP-POS-e980f4ea-60
0.504
BRU-THA-92256091-47
0.504
ALF-EVA-719172df-6
0.500
MIC-UNK-8686cf1d-2
0.500
ALP-POS-e980f4ea-45
0.500
ALP-POS-e980f4ea-66
0.500
BRU-THA-92256091-39
0.500
BRU-THA-92256091-70
0.500
ALP-POS-ced8ea4d-43
0.496
PET-UNK-48ab5cd7-5
0.496
ALP-POS-b0bc6a46-23
0.496
ALP-POS-02c6a514-38
0.496
ALP-POS-ced8ea4d-60
0.492
BRU-THA-92256091-4
0.492
BRU-THA-92256091-46
0.492
ALP-POS-e980f4ea-61
0.492
ALP-POS-ced8ea4d-66
0.492
MAT-POS-f2460aef-1
0.492
LON-WEI-2e27a2e5-1
0.492
MAT-POS-f2460aef-2
0.492
ALP-POS-ced8ea4d-42
0.489
ALP-POS-ced8ea4d-61
0.489
BRU-THA-92256091-36
0.488
BRU-THA-92256091-49
0.488
BRU-THA-92256091-50
0.488
BRU-THA-92256091-25
0.488
ALP-POS-b0bc6a46-15
0.488
ALP-POS-02c6a514-24
0.488
ALP-POS-b0bc6a46-11
0.488
ALP-POS-02c6a514-18
0.488
ALP-POS-02c6a514-8
0.488
ALP-POS-b0bc6a46-7
0.488
ALP-POS-b0bc6a46-12
0.488
ALP-POS-02c6a514-20
0.488
ALP-POS-02c6a514-37
0.488
ALP-POS-b0bc6a46-22
0.488
BRU-THA-92256091-40
0.485
BRU-THA-92256091-34
0.484
ALP-POS-e980f4ea-56
0.484
PAU-WEI-ca14c437-1
0.484
ALP-POS-b0bc6a46-24
0.484
ALP-POS-02c6a514-39
0.484
ALP-POS-ced8ea4d-31
0.481
BRU-THA-92256091-89
0.481
ALP-POS-e980f4ea-31
0.477
ALP-POS-ced8ea4d-56
0.477
BRU-THA-92256091-72
0.477
ALP-POS-b0bc6a46-1
0.477
ALP-POS-02c6a514-1
0.477
BRU-THA-92256091-74
0.477
ALP-POS-b0bc6a46-25
0.476