Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc2c(c1)CCCS2(=O)=O |
MW: | 548.15 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 122.47 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-76
0.804
ALP-POS-e980f4ea-25
0.752
ALP-POS-ced8ea4d-53
0.690
ALP-POS-ced8ea4d-47
0.678
ALP-POS-95f71980-28
0.678
ALP-POS-ced8ea4d-63
0.667
ALP-POS-ced8ea4d-27
0.658
ALP-POS-ced8ea4d-1
0.656
ALP-POS-ced8ea4d-28
0.655
ALP-POS-02c6a514-50
0.652
ALP-UNI-fe744232-3
0.649
ALP-POS-ced8ea4d-9
0.646
ALP-UNI-fe744232-14
0.643
ALP-POS-95f71980-10
0.642
ALP-UNI-fe744232-22
0.641
ALP-UNI-fe744232-18
0.640
ALP-POS-ced8ea4d-19
0.640
ALP-POS-ced8ea4d-51
0.638
ALP-POS-ced8ea4d-44
0.636
ALP-POS-ced8ea4d-30
0.635
ALP-POS-ced8ea4d-37
0.635
ALP-POS-ced8ea4d-67
0.635
ALP-POS-ced8ea4d-20
0.633
ALP-POS-ced8ea4d-38
0.633
ALP-POS-95f71980-37
0.632
ALP-POS-ced8ea4d-62
0.632
ALP-POS-ced8ea4d-59
0.630
ALP-POS-ced8ea4d-49
0.629
ALP-POS-ced8ea4d-52
0.629
ALP-POS-ced8ea4d-5
0.629
ALP-POS-ced8ea4d-11
0.629
ALP-POS-ced8ea4d-39
0.629
ALP-POS-ced8ea4d-8
0.628
ALP-POS-ced8ea4d-36
0.628
ALP-POS-ced8ea4d-21
0.628
ALP-POS-ced8ea4d-10
0.625
ALP-UNI-fe744232-11
0.625
ALP-POS-ced8ea4d-12
0.624
ALP-UNI-fe744232-9
0.624
ALP-POS-95f71980-36
0.624
ALP-UNI-fe744232-1
0.622
ALP-POS-95f71980-3
0.622
ALP-POS-ced8ea4d-24
0.620
ALP-POS-ced8ea4d-17
0.620
ALP-UNI-fe744232-12
0.619
ALP-POS-ced8ea4d-65
0.618
ALP-POS-95f71980-38
0.616
ALP-POS-95f71980-33
0.615
ALP-UNI-fe744232-30
0.613
ALP-UNI-fe744232-15
0.613
ALP-POS-95f71980-14
0.612
ALP-UNI-fe744232-13
0.610
ALP-POS-ced8ea4d-50
0.610
ALP-POS-95f71980-34
0.610
ALP-UNI-fe744232-17
0.608
ALP-POS-ced8ea4d-16
0.608
ALP-POS-95f71980-15
0.608
ALP-POS-95f71980-32
0.608
ALP-POS-ced8ea4d-15
0.605
ALP-UNI-fe744232-25
0.602
ALP-POS-ced8ea4d-18
0.600
ALP-POS-95f71980-27
0.597
ALP-POS-95f71980-35
0.597
ALP-POS-95f71980-9
0.595
ALP-POS-95f71980-26
0.593
ALP-UNI-fe744232-19
0.593
ALP-POS-95f71980-16
0.588
ALP-POS-95f71980-1
0.583
ALP-POS-95f71980-20
0.583
ALP-POS-ced8ea4d-32
0.583
ALP-POS-95f71980-39
0.579
ALP-POS-95f71980-40
0.577
ALP-POS-95f71980-13
0.575
ALP-POS-95f71980-5
0.566
ALP-POS-95f71980-31
0.566
ALP-POS-95f71980-12
0.561
ALP-POS-95f71980-41
0.556
ALP-POS-95f71980-8
0.556
ALP-POS-ced8ea4d-13
0.554
ALP-POS-ced8ea4d-22
0.554
ALP-POS-ced8ea4d-7
0.552
BRU-THA-92256091-54
0.551
ALP-POS-ced8ea4d-34
0.548
ALP-POS-ced8ea4d-45
0.544
ALP-POS-ced8ea4d-35
0.543
ALP-POS-ced8ea4d-64
0.538
ALP-POS-d0876c20-5
0.538
ALP-POS-ced8ea4d-54
0.537
BRU-THA-92256091-55
0.535
ALP-POS-ced8ea4d-4
0.534
ALP-POS-d0876c20-17
0.529
ALP-POS-ced8ea4d-2
0.528
ALP-POS-95f71980-30
0.527
ALP-POS-ced8ea4d-14
0.524
ALP-POS-e980f4ea-53
0.523
BRU-THA-92256091-78
0.523
ALP-POS-305f6ec3-12
0.520
ALP-POS-ced8ea4d-66
0.520
BRU-THA-92256091-75
0.520
ALP-POS-d0876c20-21
0.516