Molecular Properties | |
SMILES: | CSCCCNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 466.2 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 88.33 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.84824840110229 |
Order Status | |
Shipped: | synthesis in progress |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
ALP-POS-88a7a97e-16
0.852
ALP-POS-88a7a97e-35
0.825
ALP-POS-88a7a97e-3
0.788
ALP-POS-88a7a97e-14
0.778
ALP-POS-88a7a97e-22
0.774
ALP-POS-88a7a97e-31
0.756
ALP-POS-88a7a97e-13
0.753
ALP-POS-88a7a97e-48
0.744
ALP-POS-88a7a97e-1
0.744
ALP-POS-88a7a97e-10
0.733
ALP-POS-88a7a97e-33
0.733
ALP-POS-88a7a97e-2
0.733
ALP-POS-88a7a97e-18
0.726
ALP-POS-88a7a97e-19
0.722
ALP-POS-88a7a97e-17
0.722
ALP-POS-88a7a97e-7
0.718
ALP-POS-88a7a97e-29
0.708
ALP-POS-88a7a97e-32
0.708
ALP-POS-88a7a97e-4
0.708
ALP-POS-88a7a97e-38
0.708
ALP-POS-88a7a97e-11
0.707
LON-WEI-adc59df6-10
0.701
ALP-POS-42f3de95-2
0.699
ALP-POS-88a7a97e-12
0.693
ALP-POS-88a7a97e-8
0.692
ALP-POS-42f3de95-1
0.691
ALP-POS-88a7a97e-45
0.685
ALP-POS-88a7a97e-47
0.684
ALP-POS-02c6a514-50
0.684
ALP-POS-88a7a97e-5
0.681
ALP-POS-88a7a97e-34
0.678
ALP-POS-88a7a97e-28
0.670
ALP-POS-88a7a97e-26
0.663
ALP-POS-88a7a97e-27
0.656
ALP-POS-88a7a97e-42
0.656
ALP-POS-88a7a97e-44
0.653
ALP-POS-88a7a97e-49
0.650
ALP-POS-88a7a97e-39
0.649
ALP-POS-88a7a97e-9
0.642
ALP-POS-88a7a97e-30
0.635
ALP-POS-88a7a97e-41
0.629
ALP-POS-88a7a97e-15
0.629
ALP-POS-88a7a97e-21
0.622
ALP-POS-88a7a97e-36
0.622
ALP-POS-88a7a97e-43
0.610
ALP-UNI-fe744232-18
0.604
ALP-POS-88a7a97e-6
0.598
ALP-POS-88a7a97e-20
0.589
ALP-POS-95f71980-36
0.587
LON-WEI-adc59df6-17
0.576
ALP-POS-ced8ea4d-16
0.570
ALP-POS-88a7a97e-25
0.570
ALP-POS-ced8ea4d-27
0.559
ALP-UNI-fe744232-10
0.559
ALP-UNI-fe744232-24
0.553
ALP-UNI-fe744232-16
0.553
ALP-POS-88a7a97e-23
0.550
ALP-POS-88a7a97e-40
0.550
ALP-POS-88a7a97e-24
0.550
ALP-POS-88a7a97e-37
0.550
ALP-UNI-fe744232-5
0.548
ALP-POS-ced8ea4d-9
0.548
ALP-UNI-fe744232-6
0.543
ALP-UNI-fe744232-7
0.543
ALP-POS-ced8ea4d-19
0.543
ALP-UNI-fe744232-27
0.543
ALP-POS-ced8ea4d-51
0.542
ALP-UNI-fe744232-9
0.542
ALP-UNI-fe744232-19
0.541
ALP-POS-ced8ea4d-28
0.539
ALP-POS-d0876c20-17
0.539
ALP-UNI-fe744232-3
0.538
ALP-UNI-fe744232-4
0.538
ALP-UNI-fe744232-8
0.538
ALP-UNI-fe744232-29
0.538
ALP-POS-ced8ea4d-67
0.538
ALP-UNI-fe744232-20
0.538
ALP-UNI-fe744232-21
0.537
ALP-UNI-fe744232-28
0.537
ALP-POS-95f71980-10
0.536
ALP-POS-d0876c20-5
0.534
ALP-UNI-fe744232-14
0.533
ALP-POS-ced8ea4d-52
0.533
ALP-POS-ced8ea4d-5
0.533
ALP-POS-ced8ea4d-11
0.533
ALP-UNI-fe744232-15
0.532
LON-WEI-adc59df6-27
0.531
ALP-POS-ced8ea4d-12
0.528
ALP-UNI-fe744232-17
0.527
ALP-UNI-fe744232-12
0.523
ALP-POS-ced8ea4d-62
0.523
ALP-POS-42f3de95-3
0.523
ALP-POS-95f71980-37
0.523
ALP-UNI-fe744232-22
0.518
ALP-UNI-fe744232-26
0.518
ALP-UNI-fe744232-30
0.518
ALP-POS-02c6a514-54
0.515
LON-WEI-adc59df6-7
0.515
ALP-POS-305f6ec3-12
0.514
ALP-UNI-fe744232-1
0.514