Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(N2CCCS2(=O)=O)cc1 |
MW: | 563.16 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 125.71 |
cLogP: | 3.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 27.8339708498058 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-ced8ea4d-27
0.748
ALP-UNI-fe744232-14
0.745
ALP-POS-95f71980-10
0.739
ALP-POS-ced8ea4d-19
0.726
ALP-POS-02c6a514-50
0.724
ALP-UNI-fe744232-3
0.720
ALP-POS-ced8ea4d-67
0.720
ALP-POS-95f71980-3
0.718
ALP-UNI-fe744232-1
0.718
ALP-POS-ced8ea4d-9
0.717
ALP-POS-95f71980-15
0.713
ALP-POS-ced8ea4d-28
0.712
ALP-UNI-fe744232-18
0.710
ALP-UNI-fe744232-12
0.700
ALP-POS-ced8ea4d-62
0.700
ALP-POS-ced8ea4d-5
0.697
ALP-POS-ced8ea4d-11
0.697
ALP-POS-ced8ea4d-52
0.697
ALP-UNI-fe744232-22
0.694
ALP-POS-95f71980-33
0.693
ALP-UNI-fe744232-9
0.691
ALP-POS-ced8ea4d-12
0.691
ALP-POS-ced8ea4d-51
0.691
ALP-POS-95f71980-36
0.691
ALP-POS-95f71980-35
0.687
ALP-POS-ced8ea4d-17
0.684
ALP-UNI-fe744232-30
0.679
ALP-UNI-fe744232-15
0.679
ALP-UNI-fe744232-25
0.678
ALP-POS-ced8ea4d-25
0.678
ALP-POS-ced8ea4d-63
0.676
ALP-UNI-fe744232-11
0.675
ALP-UNI-fe744232-17
0.673
ALP-POS-ced8ea4d-16
0.673
ALP-POS-95f71980-38
0.664
ALP-POS-95f71980-27
0.658
ALP-UNI-fe744232-13
0.658
ALP-POS-95f71980-34
0.658
ALP-POS-ced8ea4d-44
0.658
ALP-POS-ced8ea4d-37
0.658
ALP-POS-ced8ea4d-32
0.655
ALP-UNI-fe744232-19
0.655
ALP-POS-ced8ea4d-53
0.655
ALP-POS-ced8ea4d-39
0.652
ALP-POS-ced8ea4d-49
0.652
ALP-POS-ced8ea4d-47
0.644
ALP-POS-ced8ea4d-50
0.644
ALP-POS-95f71980-37
0.640
ALP-POS-ced8ea4d-59
0.638
ALP-POS-ced8ea4d-8
0.636
ALP-POS-ced8ea4d-10
0.632
ALP-POS-95f71980-9
0.631
ALP-POS-ced8ea4d-20
0.627
ALP-POS-ced8ea4d-24
0.627
ALP-POS-ced8ea4d-38
0.627
ALP-POS-ced8ea4d-65
0.625
ALP-POS-ced8ea4d-1
0.623
ALP-POS-ced8ea4d-21
0.622
ALP-POS-ced8ea4d-36
0.622
ALP-POS-ced8ea4d-18
0.620
ALP-POS-95f71980-32
0.615
ALP-POS-95f71980-26
0.613
ALP-POS-95f71980-13
0.609
ALP-POS-95f71980-14
0.605
ALP-POS-ced8ea4d-30
0.603
ALP-POS-ced8ea4d-15
0.598
ALP-POS-d0876c20-5
0.598
ALP-POS-95f71980-16
0.595
ALP-POS-95f71980-1
0.590
ALP-POS-95f71980-20
0.590
ALP-POS-d0876c20-17
0.589
ALP-POS-ced8ea4d-45
0.588
ALP-POS-95f71980-31
0.585
ALP-POS-95f71980-5
0.585
ALP-POS-95f71980-39
0.585
WIL-UNI-354943b6-7
0.581
ALP-POS-95f71980-12
0.580
ALP-POS-ced8ea4d-34
0.579
ALP-POS-95f71980-41
0.575
ALP-POS-ced8ea4d-35
0.574
ALP-POS-ced8ea4d-13
0.573
ALP-POS-ced8ea4d-22
0.573
BRU-THA-92256091-85
0.571
ALP-POS-ced8ea4d-7
0.571
ALP-POS-95f71980-40
0.570
ALP-POS-ced8ea4d-64
0.570
BRU-THA-92256091-24
0.570
ALP-POS-95f71980-4
0.570
ALP-UNI-fe744232-2
0.569
ALP-UNI-fe744232-10
0.565
ALP-POS-305f6ec3-12
0.563
WIL-UNI-354943b6-1
0.562
ALP-POS-95f71980-8
0.561
ALP-POS-95f71980-25
0.560
ALP-POS-305f6ec3-48
0.560
MAT-POS-f2460aef-3
0.560
ALP-POS-ced8ea4d-41
0.559
ALP-POS-ced8ea4d-2
0.558
ALP-POS-1245c3fa-1
0.557
ALP-POS-95f71980-30
0.556