Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)C1CCN(c2ccccc2)CC1 |
MW: | 526.24 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 78.68 |
cLogP: | 5.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 79.6127987176393 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-b0bc6a46-28
1.000
ALP-POS-02c6a514-36
0.673
ALP-POS-b0bc6a46-21
0.673
ALP-POS-02c6a514-42
0.652
ALP-POS-b0bc6a46-26
0.652
ALP-POS-ced8ea4d-31
0.643
ALP-POS-e980f4ea-31
0.640
MIC-UNK-8686cf1d-3
0.640
BRU-THA-92256091-89
0.629
MIC-UNK-8686cf1d-4
0.626
MIC-UNK-8686cf1d-7
0.614
MIC-UNK-8686cf1d-1
0.609
MIC-UNK-8686cf1d-8
0.607
MIC-UNK-8686cf1d-5
0.593
ALP-POS-02c6a514-2
0.585
ALP-POS-b0bc6a46-2
0.585
ALP-POS-b0bc6a46-4
0.579
ALP-POS-02c6a514-4
0.579
KHR-WEI-75c61062-2
0.578
ALP-POS-b0bc6a46-9
0.575
ALP-POS-02c6a514-15
0.575
KHR-WEI-75c61062-1
0.573
ALP-POS-ced8ea4d-13
0.561
ALP-POS-ced8ea4d-22
0.561
ALP-POS-e980f4ea-13
0.554
ALP-POS-e980f4ea-22
0.554
ALP-POS-ced8ea4d-14
0.542
BRU-THA-92256091-9
0.539
BRU-THA-92256091-13
0.539
ALP-POS-ced8ea4d-66
0.538
ALP-POS-e980f4ea-14
0.538
ALP-POS-ced8ea4d-45
0.538
ALF-EVA-719172df-6
0.536
MIC-UNK-8686cf1d-9
0.536
ALP-POS-e980f4ea-66
0.534
BRU-THA-92256091-10
0.534
ALP-POS-ced8ea4d-2
0.534
ALP-POS-e980f4ea-45
0.534
ALP-POS-ced8ea4d-56
0.533
ALP-POS-ced8ea4d-55
0.533
ALP-POS-ced8ea4d-26
0.532
ALP-POS-b0bc6a46-23
0.532
ALP-POS-02c6a514-38
0.532
ALP-POS-02c6a514-39
0.531
ALP-POS-b0bc6a46-24
0.531
PET-UNK-48ab5cd7-5
0.530
ALP-POS-b0bc6a46-5
0.530
ALP-POS-02c6a514-5
0.530
BRU-THA-92256091-33
0.529
ALP-POS-e980f4ea-56
0.529
ALP-POS-e980f4ea-43
0.529
ALP-POS-b0bc6a46-10
0.529
ALP-POS-02c6a514-16
0.529
ALP-POS-ced8ea4d-43
0.529
ALP-POS-e980f4ea-26
0.528
MAT-POS-f2460aef-1
0.527
LON-WEI-2e27a2e5-1
0.527
MAT-POS-f2460aef-2
0.527
BRU-THA-92256091-1
0.525
ALP-POS-b0bc6a46-13
0.524
ALP-POS-02c6a514-21
0.524
BRU-THA-92256091-90
0.524
ALP-POS-02c6a514-37
0.522
ALP-POS-b0bc6a46-22
0.522
ALP-POS-02c6a514-20
0.522
ALP-POS-b0bc6a46-12
0.522
ALP-POS-e980f4ea-2
0.521
ALP-POS-02c6a514-8
0.521
ALP-POS-b0bc6a46-11
0.521
ALP-POS-02c6a514-18
0.521
ALP-POS-b0bc6a46-7
0.521
BRU-THA-92256091-25
0.521
BRU-THA-92256091-69
0.521
ALP-POS-02c6a514-24
0.521
ALP-POS-b0bc6a46-15
0.521
BRU-THA-92256091-29
0.521
BRU-THA-92256091-50
0.521
ALP-POS-e980f4ea-55
0.521
BRU-THA-92256091-49
0.521
ALP-POS-02c6a514-3
0.521
ALP-POS-b0bc6a46-3
0.521
ALP-POS-ced8ea4d-61
0.520
PAU-WEI-ca14c437-1
0.517
ALP-POS-02c6a514-14
0.517
ALP-POS-b0bc6a46-8
0.517
BRU-THA-92256091-81
0.516
BRU-THA-92256091-82
0.516
BRU-THA-92256091-2
0.513
BRU-THA-92256091-38
0.513
BRU-THA-92256091-71
0.512
ALP-POS-e980f4ea-61
0.512
ALP-POS-e980f4ea-42
0.512
ALP-POS-b0bc6a46-29
0.512
ALP-POS-02c6a514-58
0.512
ALP-POS-e980f4ea-60
0.512
ALP-POS-ced8ea4d-60
0.512
PET-UNK-48ab5cd7-4
0.509
BRU-THA-92256091-5
0.508
BRU-THA-92256091-39
0.508
BRU-THA-92256091-3
0.508