Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1CCC2(CCO2)CC1 |
MW: | 492.22 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 97.56 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Oxetanes, thietanes
Long aliphatic chain
BRU-THA-92256091-49
0.788
ALP-POS-ced8ea4d-13
0.782
ALP-POS-ced8ea4d-22
0.782
ALP-POS-ced8ea4d-66
0.750
ALP-POS-ced8ea4d-14
0.736
ALP-POS-ced8ea4d-43
0.731
ALP-POS-ced8ea4d-57
0.727
ALP-POS-ced8ea4d-2
0.726
ALP-POS-e980f4ea-56
0.720
ALP-POS-ced8ea4d-61
0.718
ALP-POS-ced8ea4d-45
0.713
ALP-POS-ced8ea4d-6
0.709
ALP-POS-ced8ea4d-42
0.703
ALP-POS-ced8ea4d-60
0.690
ALP-POS-ced8ea4d-31
0.675
ALP-POS-ced8ea4d-55
0.673
ALP-POS-ced8ea4d-26
0.653
ALP-POS-ced8ea4d-4
0.650
ALP-POS-ced8ea4d-29
0.646
ALP-POS-ced8ea4d-23
0.638
BRU-THA-92256091-50
0.632
ALP-POS-ced8ea4d-33
0.626
ALP-POS-ced8ea4d-3
0.624
ALP-POS-ced8ea4d-7
0.607
BRU-THA-92256091-9
0.598
BRU-THA-92256091-13
0.598
ALP-POS-ced8ea4d-41
0.593
ALP-POS-ced8ea4d-64
0.591
BRU-THA-92256091-34
0.586
BRU-THA-92256091-40
0.585
BRU-THA-92256091-1
0.583
ALP-POS-ced8ea4d-63
0.583
ALP-POS-ced8ea4d-28
0.582
ALP-POS-ced8ea4d-62
0.578
BRU-THA-92256091-25
0.578
BRU-THA-92256091-10
0.578
BRU-THA-92256091-36
0.576
BRU-THA-92256091-29
0.576
ALP-POS-ced8ea4d-54
0.575
ALP-UNI-fe744232-11
0.571
ALP-POS-ced8ea4d-27
0.571
BRU-THA-92256091-48
0.570
ALP-POS-95f71980-14
0.570
BRU-THA-92256091-2
0.570
BRU-THA-92256091-56
0.569
ALP-POS-ced8ea4d-32
0.569
ALP-POS-95f71980-1
0.569
ALP-POS-95f71980-9
0.566
ALP-POS-02c6a514-50
0.566
ALP-POS-ced8ea4d-37
0.565
BRU-THA-92256091-39
0.564
ALP-POS-ced8ea4d-59
0.563
ALP-POS-ced8ea4d-9
0.561
ALP-POS-95f71980-16
0.560
ALP-POS-ced8ea4d-49
0.560
ALP-UNI-fe744232-22
0.559
BRU-THA-92256091-33
0.559
ALP-POS-ced8ea4d-58
0.559
ALP-POS-ced8ea4d-46
0.558
ALP-UNI-fe744232-18
0.557
ALP-POS-ced8ea4d-19
0.557
ALP-POS-95f71980-20
0.556
BRU-THA-92256091-38
0.556
ALP-POS-ced8ea4d-12
0.556
ALP-POS-ced8ea4d-51
0.556
ALP-POS-ced8ea4d-40
0.555
BRU-THA-92256091-46
0.554
ALP-POS-ced8ea4d-53
0.554
ALP-POS-ced8ea4d-17
0.554
ALP-UNI-fe744232-3
0.552
ALP-POS-ced8ea4d-67
0.552
ALP-POS-95f71980-31
0.551
ALP-POS-95f71980-39
0.551
BRU-THA-92256091-5
0.551
BRU-THA-92256091-3
0.551
BRU-THA-92256091-69
0.551
ALP-POS-95f71980-40
0.550
BRU-THA-92256091-70
0.549
ALP-POS-ced8ea4d-5
0.547
ALP-UNI-fe744232-14
0.547
ALP-POS-95f71980-13
0.547
ALP-POS-ced8ea4d-39
0.547
ALP-POS-ced8ea4d-11
0.547
ALP-POS-ced8ea4d-52
0.547
BRU-THA-92256091-37
0.545
ALP-UNI-fe744232-13
0.545
ALP-POS-95f71980-27
0.545
ALP-POS-95f71980-34
0.545
ALP-POS-ced8ea4d-47
0.545
ALP-POS-95f71980-32
0.544
ALP-POS-e980f4ea-22
0.544
ALP-POS-e980f4ea-13
0.544
ALP-POS-95f71980-36
0.542
ALP-UNI-fe744232-9
0.542
ALP-POS-95f71980-3
0.542
BRU-THA-92256091-71
0.542
BRU-THA-92256091-47
0.540
ALP-POS-e980f4ea-66
0.538
ALP-POS-95f71980-37
0.538
ALP-UNI-fe744232-12
0.538