Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc2c(c1)CCCS2(=O)=O |
MW: | 547.17 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 125.12 |
cLogP: | 3.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-76
0.784
ALP-POS-ced8ea4d-25
0.752
ALP-POS-e980f4ea-53
0.675
ALP-POS-e980f4ea-47
0.670
ALP-POS-e980f4ea-27
0.654
ALP-POS-e980f4ea-63
0.652
ALP-POS-e980f4ea-9
0.651
ALP-POS-e980f4ea-28
0.651
ALP-POS-e980f4ea-1
0.647
ALP-POS-e980f4ea-19
0.636
ALP-POS-e980f4ea-38
0.635
ALP-POS-e980f4ea-5
0.634
ALP-POS-e980f4ea-51
0.634
ALP-POS-e980f4ea-11
0.634
ALP-POS-e980f4ea-44
0.626
ALP-POS-e980f4ea-30
0.626
ALP-POS-e980f4ea-52
0.625
ALP-POS-e980f4ea-67
0.625
ALP-POS-e980f4ea-37
0.625
ALP-POS-e980f4ea-8
0.624
ALP-POS-e980f4ea-17
0.624
ALP-POS-e980f4ea-20
0.624
ALP-POS-e980f4ea-21
0.624
ALP-POS-e980f4ea-62
0.623
ALP-POS-e980f4ea-59
0.621
ALP-POS-e980f4ea-49
0.619
ALP-POS-e980f4ea-12
0.619
ALP-POS-e980f4ea-39
0.619
ALP-POS-e980f4ea-65
0.619
ALP-POS-e980f4ea-36
0.619
ALP-POS-e980f4ea-50
0.613
ALP-POS-e980f4ea-24
0.610
ALP-POS-e980f4ea-10
0.610
ALP-POS-e980f4ea-18
0.610
ALP-POS-e980f4ea-15
0.600
ALP-POS-e980f4ea-16
0.593
ALP-POS-e980f4ea-32
0.573
ALP-POS-e980f4ea-45
0.545
ALP-POS-e980f4ea-34
0.545
ALP-POS-e980f4ea-7
0.545
ALP-POS-e980f4ea-13
0.538
ALP-POS-e980f4ea-22
0.538
ALP-POS-e980f4ea-64
0.530
ALP-POS-e980f4ea-35
0.528
ALP-POS-e980f4ea-4
0.523
ALP-POS-e980f4ea-54
0.521
ALP-POS-02c6a514-46
0.521
ALP-POS-e980f4ea-2
0.521
ALP-POS-305f6ec3-59
0.517
ALP-POS-e980f4ea-14
0.512
ALP-POS-e980f4ea-23
0.512
ALP-POS-e980f4ea-61
0.512
ALP-POS-e980f4ea-3
0.512
ALP-POS-e980f4ea-41
0.508
ALP-POS-e980f4ea-66
0.508
ALP-POS-e980f4ea-29
0.508
BRU-THA-92256091-54
0.508
ALP-POS-02c6a514-52
0.504
ALP-POS-e980f4ea-43
0.504
ALP-POS-e980f4ea-6
0.504
ALP-POS-95f71980-28
0.504
BRU-THA-92256091-55
0.504
BRU-THA-92256091-75
0.500
ALP-POS-e980f4ea-33
0.500
ALP-POS-e980f4ea-57
0.500
ALP-POS-305f6ec3-52
0.500
PET-UNK-48ab5cd7-2
0.500
ALP-POS-ced8ea4d-53
0.500
ALP-POS-e980f4ea-55
0.496
ALP-POS-e980f4ea-58
0.496
ALP-POS-305f6ec3-6
0.496
BRU-THA-92256091-78
0.492
ALP-POS-ced8ea4d-47
0.492
ALP-POS-e980f4ea-56
0.492
BRU-THA-92256091-15
0.492
ALP-POS-1245c3fa-1
0.492
BRU-THA-92256091-24
0.492
ALP-POS-e980f4ea-42
0.488
ALP-POS-e980f4ea-40
0.488
ALP-POS-ced8ea4d-63
0.488
ALP-POS-305f6ec3-39
0.488
ALP-POS-780445ae-6
0.488
WIL-UNI-354943b6-2
0.488
BRU-THA-92256091-22
0.488
BRU-THA-92256091-8
0.487
LON-WEI-2e27a2e5-2
0.487
ALP-POS-e980f4ea-31
0.485
ALP-POS-305f6ec3-5
0.484
BRU-THA-92256091-59
0.484
WIL-UNI-354943b6-12
0.484
MAT-POS-f2460aef-5
0.484
MAT-POS-f2460aef-3
0.484
ALP-POS-02c6a514-49
0.484
ALP-POS-95f71980-2
0.483
ALF-EVA-719172df-6
0.483
ALP-POS-02c6a514-11
0.483
ALP-POS-e980f4ea-46
0.480
ALP-POS-305f6ec3-20
0.480
WIL-UNI-354943b6-7
0.480
BRU-THA-92256091-14
0.480