Molecular Properties | |
SMILES: | CN(C)C(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 463.22 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 108.64 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 29.218966003156 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-88a7a97e-14
0.808
ALP-POS-88a7a97e-33
0.802
ALP-POS-88a7a97e-32
0.795
ALP-POS-88a7a97e-35
0.787
ALP-POS-88a7a97e-22
0.780
ALP-POS-88a7a97e-38
0.774
ALP-POS-88a7a97e-1
0.772
ALP-POS-88a7a97e-18
0.753
ALP-POS-88a7a97e-16
0.750
ALP-POS-88a7a97e-7
0.744
ALP-POS-88a7a97e-31
0.741
ALP-POS-88a7a97e-2
0.738
ALP-POS-88a7a97e-29
0.733
ALP-POS-88a7a97e-3
0.733
ALP-POS-88a7a97e-4
0.733
ALP-POS-88a7a97e-46
0.733
ALP-POS-88a7a97e-17
0.727
ALP-POS-88a7a97e-12
0.718
ALP-POS-88a7a97e-8
0.716
ALP-POS-88a7a97e-48
0.711
ALP-POS-88a7a97e-45
0.709
ALP-POS-88a7a97e-19
0.708
ALP-POS-88a7a97e-34
0.701
ALP-POS-88a7a97e-13
0.700
ALP-POS-88a7a97e-28
0.693
ALP-POS-88a7a97e-11
0.692
ALP-POS-88a7a97e-44
0.691
ALP-POS-88a7a97e-5
0.685
ALP-POS-42f3de95-2
0.685
ALP-POS-88a7a97e-26
0.685
ALP-POS-88a7a97e-42
0.677
ALP-POS-42f3de95-1
0.677
ALP-POS-88a7a97e-27
0.677
ALP-POS-02c6a514-53
0.674
ALP-POS-88a7a97e-39
0.670
ALP-POS-02c6a514-50
0.670
ALP-POS-88a7a97e-47
0.670
ALP-POS-88a7a97e-9
0.663
ALP-POS-88a7a97e-21
0.660
ALP-POS-88a7a97e-30
0.656
ALP-POS-88a7a97e-20
0.653
ALP-POS-88a7a97e-49
0.653
ALP-POS-88a7a97e-15
0.649
ALP-POS-88a7a97e-41
0.649
ALP-POS-88a7a97e-36
0.642
ALP-POS-88a7a97e-43
0.629
ALP-POS-88a7a97e-6
0.616
ALP-UNI-fe744232-18
0.590
ALP-POS-88a7a97e-25
0.587
ALP-POS-95f71980-36
0.573
ALP-POS-88a7a97e-23
0.565
ALP-POS-88a7a97e-40
0.565
ALP-POS-88a7a97e-24
0.565
ALP-POS-88a7a97e-37
0.565
ALP-UNI-fe744232-10
0.545
ALP-POS-ced8ea4d-27
0.545
ALP-POS-ced8ea4d-28
0.540
ALP-UNI-fe744232-24
0.539
ALP-UNI-fe744232-16
0.539
ALP-UNI-fe744232-4
0.538
ALP-UNI-fe744232-29
0.538
ALP-POS-ced8ea4d-67
0.538
ALP-UNI-fe744232-5
0.534
ALP-POS-ced8ea4d-9
0.534
ALP-POS-84f19ead-3
0.533
ALP-UNI-fe744232-6
0.529
ALP-UNI-fe744232-27
0.529
ALP-POS-ced8ea4d-19
0.529
ALP-UNI-fe744232-7
0.529
ALP-UNI-fe744232-9
0.528
LON-WEI-adc59df6-30
0.528
ALP-POS-ced8ea4d-16
0.528
ALP-POS-d0876c20-17
0.525
ALP-UNI-fe744232-8
0.524
ALP-UNI-fe744232-20
0.524
ALP-UNI-fe744232-3
0.524
ALP-UNI-fe744232-28
0.523
ALP-UNI-fe744232-21
0.523
ALP-POS-42f3de95-3
0.523
ALP-POS-d0876c20-5
0.520
ALP-UNI-fe744232-14
0.519
ALP-POS-ced8ea4d-11
0.519
ALP-POS-ced8ea4d-5
0.519
ALP-POS-ced8ea4d-52
0.519
ALP-UNI-fe744232-15
0.519
ALP-POS-02c6a514-54
0.516
ALP-POS-ced8ea4d-51
0.514
ALP-POS-ced8ea4d-12
0.514
ALP-UNI-fe744232-17
0.514
BRU-THA-40a53a3c-1
0.510
MAT-POS-f2460aef-3
0.510
ALP-POS-ced8ea4d-37
0.509
ALP-POS-ced8ea4d-62
0.509
ALP-POS-95f71980-37
0.509
ALP-UNI-fe744232-12
0.509
LON-WEI-adc59df6-29
0.505
ALP-UNI-fe744232-30
0.505
ALP-UNI-fe744232-22
0.505
ALP-UNI-fe744232-26
0.505
ALP-UNI-fe744232-19
0.500