Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1cccc(Oc2cccnn2)c1 |
MW: | 537.19 |
Fraction sp3: | 0.1 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 125.99 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-92
0.761
ALP-POS-ced8ea4d-15
0.723
ALP-POS-e980f4ea-28
0.680
ALP-POS-e980f4ea-19
0.664
ALP-POS-e980f4ea-44
0.652
ALP-POS-e980f4ea-67
0.651
ALP-POS-e980f4ea-27
0.651
BRU-THA-92256091-93
0.647
ALP-POS-e980f4ea-59
0.646
ALP-POS-e980f4ea-12
0.645
ALP-POS-e980f4ea-39
0.645
ALP-POS-e980f4ea-49
0.645
ALP-POS-e980f4ea-51
0.645
ALP-POS-e980f4ea-47
0.638
ALP-POS-e980f4ea-52
0.636
ALP-POS-e980f4ea-18
0.635
ALP-POS-e980f4ea-9
0.633
ALP-POS-e980f4ea-38
0.632
ALP-POS-e980f4ea-53
0.629
ALP-POS-e980f4ea-37
0.622
ALP-POS-e980f4ea-24
0.621
ALP-POS-e980f4ea-20
0.621
ALP-POS-e980f4ea-62
0.619
ALP-POS-e980f4ea-11
0.616
ALP-POS-e980f4ea-5
0.616
ALP-POS-e980f4ea-50
0.610
ALP-POS-e980f4ea-10
0.607
ALP-POS-e980f4ea-8
0.607
ALP-POS-e980f4ea-21
0.607
ALP-POS-e980f4ea-63
0.605
ALP-POS-e980f4ea-36
0.602
ALP-POS-e980f4ea-65
0.602
ALP-POS-e980f4ea-25
0.600
ALP-POS-e980f4ea-17
0.593
ALP-POS-e980f4ea-16
0.590
ALP-POS-e980f4ea-32
0.582
ALP-POS-e980f4ea-1
0.577
ALP-POS-e980f4ea-54
0.571
ALP-POS-e980f4ea-34
0.568
ALP-POS-e980f4ea-30
0.559
ALP-POS-e980f4ea-7
0.555
ALP-POS-e980f4ea-58
0.542
ALP-POS-e980f4ea-64
0.540
ALP-POS-e980f4ea-6
0.537
ALP-POS-e980f4ea-35
0.537
ALP-POS-e980f4ea-41
0.530
ALP-POS-e980f4ea-13
0.521
ALP-POS-e980f4ea-22
0.521
ALP-POS-305f6ec3-59
0.513
ALP-POS-1245c3fa-2
0.513
ALP-POS-e980f4ea-46
0.512
BRU-THA-92256091-8
0.509
PET-UNK-48ab5cd7-2
0.508
ALP-POS-e980f4ea-40
0.508
ALP-POS-e980f4ea-66
0.504
ALP-POS-e980f4ea-2
0.504
ALP-POS-e980f4ea-45
0.504
ALP-POS-e980f4ea-55
0.504
ALP-POS-02c6a514-52
0.500
PAU-WEI-ca14c437-1
0.500
ALP-POS-e980f4ea-43
0.500
BRU-THA-92256091-19
0.500
ALP-POS-e980f4ea-61
0.496
ALP-POS-e980f4ea-14
0.496
BRU-THA-92256091-18
0.496
ALP-POS-305f6ec3-52
0.496
ALP-POS-e980f4ea-48
0.492
ALP-POS-e980f4ea-29
0.492
PAU-WEI-d9f77348-1
0.492
BRU-THA-92256091-30
0.492
BRU-THA-92256091-31
0.492
ALP-POS-95f71980-22
0.492
ALP-POS-305f6ec3-6
0.492
ALP-POS-02c6a514-46
0.492
ALP-POS-305f6ec3-14
0.492
ALP-POS-02c6a514-37
0.492
ALP-POS-95f71980-2
0.492
ALP-POS-b0bc6a46-22
0.492
LON-WEI-adc59df6-47
0.491
PAU-WEI-5b8d5051-1
0.491
LON-POS-586a7c45-1
0.491
BRU-THA-92256091-63
0.488
BRU-THA-92256091-64
0.488
ALP-POS-e980f4ea-56
0.488
BRU-THA-92256091-16
0.488
BRU-THA-92256091-17
0.488
ALP-POS-1245c3fa-1
0.487
BRU-THA-92256091-24
0.487
LON-WEI-babf2c61-9
0.487
ALP-POS-305f6ec3-8
0.485
ALP-POS-e980f4ea-57
0.484
BRU-THA-92256091-42
0.484
ALP-POS-e980f4ea-42
0.484
ALP-POS-e980f4ea-3
0.484
ALP-POS-e980f4ea-23
0.484
ALP-POS-e980f4ea-33
0.484
ALP-POS-305f6ec3-39
0.484
BRU-THA-92256091-22
0.483
LON-WEI-2e27a2e5-2
0.483
BRU-THA-92256091-59
0.480