Molecular Properties | |
SMILES: | CSCCNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 452.19 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 4.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.44714263574268 |
Order Status | |
Shipped: | synthesis in progress |
Aliphatic long chain
Long aliphatic chain
ALP-POS-88a7a97e-46
0.852
ALP-POS-88a7a97e-35
0.846
ALP-POS-88a7a97e-14
0.797
ALP-POS-88a7a97e-22
0.793
ALP-POS-88a7a97e-31
0.774
ALP-POS-88a7a97e-3
0.765
ALP-POS-88a7a97e-1
0.762
ALP-POS-88a7a97e-2
0.750
ALP-POS-88a7a97e-33
0.750
ALP-POS-88a7a97e-10
0.750
ALP-POS-88a7a97e-18
0.744
ALP-POS-88a7a97e-17
0.739
ALP-POS-88a7a97e-19
0.739
ALP-POS-88a7a97e-7
0.735
ALP-POS-88a7a97e-13
0.730
ALP-POS-88a7a97e-4
0.724
ALP-POS-88a7a97e-38
0.724
ALP-POS-88a7a97e-32
0.724
ALP-POS-88a7a97e-29
0.724
ALP-POS-88a7a97e-48
0.722
ALP-POS-88a7a97e-11
0.722
ALP-POS-42f3de95-2
0.714
ALP-POS-88a7a97e-12
0.709
ALP-POS-88a7a97e-8
0.708
ALP-POS-42f3de95-1
0.707
ALP-POS-88a7a97e-45
0.701
ALP-POS-02c6a514-50
0.699
ALP-POS-88a7a97e-47
0.699
ALP-POS-88a7a97e-5
0.697
ALP-POS-88a7a97e-34
0.693
ALP-POS-88a7a97e-28
0.685
LON-WEI-adc59df6-17
0.682
ALP-POS-88a7a97e-26
0.677
ALP-POS-88a7a97e-42
0.670
ALP-POS-88a7a97e-27
0.670
ALP-POS-88a7a97e-44
0.667
ALP-POS-88a7a97e-39
0.663
ALP-POS-88a7a97e-9
0.656
ALP-POS-88a7a97e-30
0.649
ALP-POS-88a7a97e-49
0.646
ALP-POS-88a7a97e-41
0.642
ALP-POS-88a7a97e-15
0.642
ALP-POS-88a7a97e-21
0.635
ALP-POS-88a7a97e-36
0.635
ALP-POS-88a7a97e-43
0.622
ALP-UNI-fe744232-18
0.616
ALP-POS-88a7a97e-20
0.615
ALP-POS-88a7a97e-6
0.610
ALP-POS-95f71980-36
0.598
LON-WEI-adc59df6-10
0.587
ALP-POS-88a7a97e-25
0.581
ALP-UNI-fe744232-24
0.580
ALP-POS-ced8ea4d-27
0.570
ALP-UNI-fe744232-10
0.570
ALP-POS-ced8ea4d-16
0.566
ALP-UNI-fe744232-16
0.564
ALP-POS-88a7a97e-23
0.560
ALP-POS-88a7a97e-24
0.560
ALP-POS-88a7a97e-40
0.560
ALP-POS-88a7a97e-37
0.560
ALP-POS-ced8ea4d-9
0.559
ALP-UNI-fe744232-5
0.559
ALP-POS-ced8ea4d-19
0.553
ALP-UNI-fe744232-7
0.553
ALP-UNI-fe744232-27
0.553
ALP-UNI-fe744232-6
0.553
ALP-UNI-fe744232-9
0.552
ALP-POS-ced8ea4d-28
0.550
ALP-POS-d0876c20-17
0.550
ALP-UNI-fe744232-3
0.548
ALP-UNI-fe744232-8
0.548
ALP-POS-ced8ea4d-67
0.548
ALP-UNI-fe744232-4
0.548
ALP-UNI-fe744232-29
0.548
ALP-UNI-fe744232-20
0.548
ALP-UNI-fe744232-21
0.547
ALP-UNI-fe744232-28
0.547
ALP-POS-d0876c20-5
0.545
ALP-POS-ced8ea4d-52
0.543
ALP-POS-ced8ea4d-5
0.543
ALP-POS-ced8ea4d-11
0.543
ALP-UNI-fe744232-14
0.543
ALP-POS-02c6a514-54
0.543
ALP-UNI-fe744232-15
0.542
ALP-POS-ced8ea4d-12
0.538
ALP-POS-ced8ea4d-51
0.538
ALP-POS-95f71980-3
0.537
ALP-UNI-fe744232-17
0.537
ALP-POS-42f3de95-3
0.533
ALP-POS-ced8ea4d-62
0.533
ALP-POS-95f71980-37
0.533
ALP-UNI-fe744232-12
0.533
ALP-UNI-fe744232-23
0.532
ALP-POS-95f71980-10
0.532
ALP-POS-95f71980-4
0.529
ALP-UNI-fe744232-22
0.528
ALP-UNI-fe744232-26
0.528
ALP-UNI-fe744232-30
0.528
ALP-POS-305f6ec3-12
0.523
ALP-UNI-fe744232-1
0.523