Molecular Properties | |
SMILES: | CCOC(=O)CNC(=O)C(c1cccnc1)N(C(=O)c1cocn1)c1ccc(C(C)(C)C)cc1 |
MW: | 464.21 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 114.63 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 9.52684659761198 |
Order Status | |
Shipped: | synthesis in progress |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
Long aliphatic chain
ALP-POS-88a7a97e-33
0.840
ALP-POS-88a7a97e-38
0.810
ALP-POS-88a7a97e-17
0.802
ALP-POS-88a7a97e-10
0.795
ALP-POS-88a7a97e-48
0.784
ALP-POS-88a7a97e-44
0.780
ALP-POS-88a7a97e-14
0.778
ALP-POS-88a7a97e-35
0.759
ALP-POS-88a7a97e-1
0.744
ALP-POS-88a7a97e-31
0.736
ALP-POS-88a7a97e-22
0.733
ALP-POS-88a7a97e-29
0.727
ALP-POS-88a7a97e-3
0.727
ALP-POS-88a7a97e-18
0.726
ALP-POS-88a7a97e-16
0.724
ALP-POS-88a7a97e-7
0.718
ALP-POS-88a7a97e-2
0.713
ALP-POS-88a7a97e-4
0.708
ALP-POS-88a7a97e-46
0.708
ALP-POS-88a7a97e-19
0.703
ALP-POS-88a7a97e-5
0.700
ALP-POS-88a7a97e-34
0.697
ALP-POS-88a7a97e-13
0.696
ALP-POS-88a7a97e-12
0.693
ALP-POS-88a7a97e-8
0.692
ALP-POS-88a7a97e-45
0.685
ALP-POS-88a7a97e-49
0.684
ALP-POS-42f3de95-2
0.681
ALP-POS-88a7a97e-42
0.674
ALP-POS-88a7a97e-28
0.670
ALP-POS-88a7a97e-11
0.670
ALP-POS-88a7a97e-26
0.663
ALP-POS-88a7a97e-9
0.660
ALP-POS-42f3de95-1
0.656
ALP-POS-88a7a97e-27
0.656
ALP-POS-88a7a97e-30
0.653
ALP-POS-02c6a514-50
0.649
ALP-POS-88a7a97e-47
0.649
ALP-POS-88a7a97e-39
0.649
ALP-POS-88a7a97e-15
0.646
ALP-POS-88a7a97e-41
0.646
ALP-POS-88a7a97e-21
0.639
ALP-POS-88a7a97e-36
0.639
ALP-POS-88a7a97e-20
0.635
ALP-POS-88a7a97e-43
0.626
ALP-POS-88a7a97e-6
0.614
NIM-NMI-8bb27a2b-18
0.585
ALP-POS-88a7a97e-25
0.585
ALP-UNI-fe744232-18
0.573
ALP-POS-95f71980-36
0.571
ALP-UNI-fe744232-4
0.567
ALP-POS-88a7a97e-23
0.564
ALP-POS-88a7a97e-40
0.564
ALP-POS-88a7a97e-37
0.564
ALP-POS-88a7a97e-24
0.564
LON-WEI-adc59df6-2
0.557
ALP-UNI-fe744232-29
0.552
LON-WEI-adc59df6-7
0.545
ALP-UNI-fe744232-10
0.544
ALP-POS-ced8ea4d-27
0.544
ALP-UNI-fe744232-24
0.538
ALP-UNI-fe744232-16
0.538
ALP-POS-ced8ea4d-67
0.538
ALP-UNI-fe744232-5
0.533
ALP-POS-02c6a514-53
0.531
ALP-UNI-fe744232-6
0.528
ALP-UNI-fe744232-27
0.528
ALP-POS-ced8ea4d-19
0.528
ALP-UNI-fe744232-7
0.528
ALP-UNI-fe744232-8
0.523
ALP-UNI-fe744232-20
0.523
ALP-UNI-fe744232-21
0.523
ALP-UNI-fe744232-28
0.523
ALP-POS-ced8ea4d-9
0.519
ALP-POS-ced8ea4d-52
0.519
ALP-POS-ced8ea4d-12
0.514
ALP-UNI-fe744232-9
0.514
ALP-POS-ced8ea4d-51
0.514
ALP-POS-ced8ea4d-16
0.514
LON-WEI-adc59df6-30
0.511
NIM-NMI-8bb27a2b-12
0.510
BRU-THA-40a53a3c-1
0.510
ALP-POS-d0876c20-17
0.510
ALP-POS-ced8ea4d-28
0.510
MAT-POS-f2460aef-3
0.509
ALP-UNI-fe744232-3
0.509
ALP-POS-42f3de95-3
0.509
ALP-POS-d0876c20-5
0.505
ALP-POS-ced8ea4d-11
0.505
ALP-UNI-fe744232-14
0.505
ALP-POS-ced8ea4d-5
0.505
ALP-UNI-fe744232-15
0.505
ALP-UNI-fe744232-26
0.505
ALP-UNI-fe744232-30
0.505
ALP-POS-84f19ead-3
0.500
ALP-UNI-fe744232-17
0.500
ALP-POS-95f71980-3
0.500
ALP-POS-95f71980-33
0.496
ALP-UNI-fe744232-23
0.496
ALP-POS-ced8ea4d-62
0.495