Molecular Properties | |
SMILES: | COCCCNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 450.23 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 97.56 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 8.7864354707462 |
Order Status | |
Shipped: | synthesis in progress |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
ALP-POS-88a7a97e-31
0.864
ALP-POS-88a7a97e-35
0.802
ALP-POS-88a7a97e-46
0.788
ALP-POS-88a7a97e-14
0.778
ALP-POS-88a7a97e-33
0.774
ALP-POS-88a7a97e-22
0.774
ALP-POS-88a7a97e-13
0.773
ALP-POS-88a7a97e-16
0.765
ALP-POS-88a7a97e-48
0.764
ALP-POS-88a7a97e-29
0.747
ALP-POS-88a7a97e-1
0.744
ALP-POS-88a7a97e-17
0.742
ALP-POS-88a7a97e-19
0.742
ALP-POS-88a7a97e-10
0.733
ALP-POS-88a7a97e-32
0.727
ALP-POS-88a7a97e-38
0.727
ALP-POS-88a7a97e-18
0.726
ALP-POS-88a7a97e-5
0.719
ALP-POS-88a7a97e-7
0.718
ALP-POS-88a7a97e-2
0.713
ALP-POS-88a7a97e-4
0.708
ALP-POS-88a7a97e-11
0.707
ALP-POS-42f3de95-2
0.699
ALP-POS-88a7a97e-12
0.693
ALP-POS-88a7a97e-8
0.692
ALP-POS-42f3de95-1
0.691
LON-WEI-adc59df6-27
0.690
ALP-POS-88a7a97e-45
0.685
ALP-POS-02c6a514-50
0.684
ALP-POS-88a7a97e-47
0.684
ALP-POS-88a7a97e-34
0.678
ALP-POS-88a7a97e-42
0.674
ALP-POS-88a7a97e-28
0.670
ALP-POS-88a7a97e-49
0.667
ALP-POS-88a7a97e-26
0.663
ALP-POS-88a7a97e-15
0.663
ALP-POS-88a7a97e-41
0.663
ALP-POS-88a7a97e-27
0.656
ALP-POS-88a7a97e-21
0.656
ALP-POS-88a7a97e-36
0.656
ALP-POS-88a7a97e-44
0.653
ALP-POS-88a7a97e-39
0.649
ALP-POS-88a7a97e-9
0.642
ALP-POS-88a7a97e-30
0.635
ALP-POS-88a7a97e-6
0.630
ALP-POS-88a7a97e-43
0.626
ALP-UNI-fe744232-18
0.604
ALP-POS-95f71980-36
0.602
ALP-POS-88a7a97e-20
0.589
ALP-POS-88a7a97e-25
0.585
ALP-POS-88a7a97e-23
0.578
ALP-POS-88a7a97e-24
0.578
ALP-POS-88a7a97e-40
0.578
ALP-POS-88a7a97e-37
0.578
ALP-POS-ced8ea4d-52
0.577
LON-WEI-adc59df6-26
0.576
ALP-UNI-fe744232-10
0.574
ALP-POS-ced8ea4d-19
0.573
ALP-UNI-fe744232-6
0.573
ALP-UNI-fe744232-16
0.569
ALP-UNI-fe744232-24
0.569
ALP-UNI-fe744232-21
0.566
ALP-UNI-fe744232-28
0.566
ALP-POS-ced8ea4d-9
0.563
ALP-UNI-fe744232-5
0.563
ALP-UNI-fe744232-30
0.561
ALP-POS-ced8ea4d-27
0.559
ALP-UNI-fe744232-7
0.558
ALP-UNI-fe744232-27
0.558
ALP-UNI-fe744232-9
0.557
ALP-POS-ced8ea4d-51
0.557
ALP-UNI-fe744232-19
0.555
ALP-UNI-fe744232-29
0.552
ALP-UNI-fe744232-8
0.552
ALP-UNI-fe744232-20
0.552
ALP-POS-ced8ea4d-67
0.552
ALP-UNI-fe744232-4
0.552
ALP-POS-ced8ea4d-5
0.547
ALP-POS-ced8ea4d-11
0.547
ALP-UNI-fe744232-15
0.546
ALP-POS-ced8ea4d-12
0.542
LON-WEI-adc59df6-10
0.542
ALP-UNI-fe744232-17
0.541
ALP-POS-ced8ea4d-16
0.541
ALP-POS-ced8ea4d-28
0.539
ALP-POS-d0876c20-17
0.539
ALP-UNI-fe744232-3
0.538
ALP-UNI-fe744232-23
0.536
ALP-POS-95f71980-10
0.536
ALP-POS-d0876c20-5
0.534
ALP-UNI-fe744232-14
0.533
ALP-UNI-fe744232-26
0.532
LON-WEI-adc59df6-7
0.530
ALP-POS-ced8ea4d-17
0.527
ALP-POS-95f71980-37
0.523
ALP-POS-ced8ea4d-62
0.523
ALP-UNI-fe744232-12
0.523
ALP-POS-42f3de95-3
0.523
ALP-UNI-fe744232-2
0.522
ALP-UNI-fe744232-22
0.518