Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCC2CCOC2)c2cccnc2)cc1 |
MW: | 462.23 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 97.56 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 5.41667910396544 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-88a7a97e-30
0.753
ALP-POS-88a7a97e-27
0.737
ALP-POS-88a7a97e-34
0.725
ALP-POS-88a7a97e-14
0.724
ALP-POS-88a7a97e-9
0.723
ALP-POS-88a7a97e-12
0.722
LON-WEI-adc59df6-19
0.720
ALP-POS-88a7a97e-45
0.714
ALP-POS-88a7a97e-35
0.708
ALP-POS-88a7a97e-28
0.699
ALP-POS-88a7a97e-1
0.693
ALP-POS-88a7a97e-22
0.685
ALP-POS-88a7a97e-33
0.685
ALP-POS-88a7a97e-10
0.685
ALP-POS-88a7a97e-18
0.678
ALP-POS-88a7a97e-16
0.677
ALP-POS-88a7a97e-7
0.670
ALP-POS-88a7a97e-31
0.670
ALP-POS-88a7a97e-8
0.667
ALP-POS-88a7a97e-2
0.667
ALP-POS-88a7a97e-32
0.663
ALP-POS-88a7a97e-3
0.663
ALP-POS-88a7a97e-29
0.663
ALP-POS-88a7a97e-38
0.663
ALP-POS-88a7a97e-4
0.663
ALP-POS-88a7a97e-46
0.663
ALP-POS-88a7a97e-47
0.660
ALP-POS-88a7a97e-19
0.660
ALP-POS-88a7a97e-39
0.660
ALP-POS-88a7a97e-11
0.646
ALP-POS-88a7a97e-17
0.643
ALP-POS-88a7a97e-15
0.640
ALP-POS-88a7a97e-13
0.636
ALP-POS-88a7a97e-48
0.630
ALP-POS-88a7a97e-6
0.625
ALP-POS-42f3de95-2
0.624
ALP-POS-88a7a97e-41
0.624
ALP-POS-88a7a97e-5
0.622
ALP-POS-88a7a97e-43
0.621
ALP-POS-88a7a97e-42
0.618
ALP-POS-42f3de95-1
0.618
ALP-POS-88a7a97e-21
0.618
ALP-POS-02c6a514-50
0.612
ALP-POS-88a7a97e-25
0.611
ALP-POS-88a7a97e-36
0.602
ALP-POS-88a7a97e-44
0.600
ALP-POS-88a7a97e-49
0.583
ALP-POS-88a7a97e-23
0.561
ALP-POS-88a7a97e-24
0.561
ALP-POS-88a7a97e-37
0.561
ALP-POS-88a7a97e-40
0.561
ALP-POS-88a7a97e-20
0.558
ALP-UNI-fe744232-18
0.541
ALP-POS-42f3de95-3
0.536
ALP-POS-ced8ea4d-32
0.529
ALP-POS-95f71980-36
0.527
ALP-POS-ced8ea4d-62
0.522
ALP-UNI-fe744232-10
0.514
BRU-THA-40a53a3c-1
0.509
LON-WEI-adc59df6-32
0.509
ALP-UNI-fe744232-16
0.509
ALP-UNI-fe744232-5
0.505
ALP-POS-ced8ea4d-17
0.500
ALP-POS-ced8ea4d-27
0.500
ALP-POS-ced8ea4d-16
0.500
ALP-UNI-fe744232-21
0.496
ALP-UNI-fe744232-24
0.495
ALP-POS-84f19ead-2
0.495
ALP-UNI-fe744232-13
0.492
ALP-UNI-fe744232-22
0.491
ALP-POS-ced8ea4d-9
0.491
ALP-POS-d0876c20-5
0.491
ALP-UNI-fe744232-9
0.487
ALP-UNI-fe744232-7
0.487
ALP-UNI-fe744232-6
0.487
ALP-UNI-fe744232-27
0.487
ALP-POS-ced8ea4d-19
0.487
ALP-UNI-fe744232-28
0.483
ALP-UNI-fe744232-12
0.483
ALP-UNI-fe744232-3
0.482
ALP-UNI-fe744232-29
0.482
ALP-UNI-fe744232-8
0.482
ALP-UNI-fe744232-4
0.482
ALP-UNI-fe744232-20
0.482
ALP-POS-ced8ea4d-67
0.482
ALP-POS-d0876c20-17
0.482
ALP-POS-ced8ea4d-28
0.482
LON-WEI-adc59df6-30
0.480
ALP-POS-95f71980-34
0.479
ALP-UNI-fe744232-11
0.479
ALP-UNI-fe744232-15
0.479
ALP-UNI-fe744232-14
0.478
ALP-POS-ced8ea4d-52
0.478
ALP-POS-ced8ea4d-5
0.478
ALP-POS-ced8ea4d-11
0.478
ALP-UNI-fe744232-17
0.475
ALP-UNI-fe744232-1
0.475
ALP-POS-ced8ea4d-51
0.474
ALP-POS-ced8ea4d-12
0.474
ALP-POS-780445ae-1
0.474