Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)C1CCC2(CCO2)CC1 |
MW: | 491.23 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 100.21 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Oxetanes, thietanes
Long aliphatic chain
ALP-POS-e980f4ea-13
0.776
ALP-POS-e980f4ea-22
0.776
BRU-THA-92256091-49
0.752
ALP-POS-e980f4ea-66
0.745
ALP-POS-e980f4ea-57
0.738
ALP-POS-e980f4ea-43
0.733
ALP-POS-e980f4ea-14
0.731
ALP-POS-ced8ea4d-56
0.720
ALP-POS-e980f4ea-2
0.712
ALP-POS-e980f4ea-42
0.710
ALP-POS-e980f4ea-61
0.710
ALP-POS-e980f4ea-6
0.701
ALP-POS-e980f4ea-45
0.692
ALP-POS-e980f4ea-60
0.691
ALP-POS-e980f4ea-55
0.658
ALP-POS-e980f4ea-31
0.655
ALP-POS-e980f4ea-4
0.643
ALP-POS-e980f4ea-23
0.634
ALP-POS-e980f4ea-26
0.632
ALP-POS-e980f4ea-29
0.631
ALP-POS-e980f4ea-33
0.619
ALP-POS-e980f4ea-3
0.619
BRU-THA-92256091-50
0.600
BRU-THA-92256091-40
0.581
BRU-THA-92256091-13
0.580
BRU-THA-92256091-9
0.580
BRU-THA-92256091-1
0.579
ALP-POS-e980f4ea-7
0.575
BRU-THA-92256091-10
0.574
BRU-THA-92256091-36
0.573
ALP-POS-e980f4ea-62
0.570
BRU-THA-92256091-34
0.569
BRU-THA-92256091-48
0.567
ALP-POS-e980f4ea-28
0.565
ALP-POS-e980f4ea-54
0.564
ALP-POS-e980f4ea-32
0.562
ALP-POS-ced8ea4d-13
0.561
ALP-POS-ced8ea4d-22
0.561
ALP-POS-e980f4ea-64
0.560
BRU-THA-92256091-29
0.559
ALP-POS-e980f4ea-63
0.557
ALP-POS-e980f4ea-59
0.556
ALP-POS-e980f4ea-27
0.555
ALP-POS-e980f4ea-9
0.554
BRU-THA-92256091-56
0.553
ALP-POS-ced8ea4d-66
0.552
BRU-THA-92256091-46
0.550
ALP-POS-e980f4ea-41
0.549
ALP-POS-e980f4ea-58
0.548
BRU-THA-92256091-39
0.547
BRU-THA-92256091-25
0.547
BRU-THA-92256091-70
0.545
ALP-POS-e980f4ea-37
0.544
ALP-POS-ced8ea4d-14
0.542
ALP-POS-ced8ea4d-57
0.541
ALP-POS-e980f4ea-19
0.540
ALP-POS-e980f4ea-11
0.539
ALP-POS-e980f4ea-49
0.539
BRU-THA-92256091-2
0.539
ALP-POS-e980f4ea-12
0.539
ALP-POS-e980f4ea-51
0.539
BRU-THA-92256091-38
0.538
BRU-THA-92256091-3
0.534
BRU-THA-92256091-5
0.534
BRU-THA-92256091-69
0.534
ALP-POS-e980f4ea-17
0.533
ALP-POS-ced8ea4d-61
0.533
ALP-POS-e980f4ea-67
0.530
ALP-POS-e980f4ea-52
0.530
ALP-POS-b0bc6a46-21
0.530
ALP-POS-02c6a514-36
0.530
ALP-POS-02c6a514-47
0.529
ALP-POS-b0bc6a46-28
0.529
BRU-THA-92256091-33
0.529
ALP-POS-e980f4ea-65
0.529
BRU-THA-92256091-37
0.529
ALP-POS-ced8ea4d-43
0.529
ALP-POS-e980f4ea-53
0.529
ALP-POS-e980f4ea-5
0.526
ALP-POS-e980f4ea-39
0.526
BRU-THA-92256091-71
0.525
ALP-POS-e980f4ea-47
0.525
BRU-THA-92256091-47
0.524
ALP-POS-e980f4ea-34
0.521
ALP-POS-ced8ea4d-2
0.521
ALP-POS-e980f4ea-18
0.521
BRU-THA-92256091-74
0.521
BRU-THA-92256091-72
0.521
ALP-POS-e980f4ea-10
0.521
ALP-POS-ced8ea4d-42
0.520
ALP-POS-e980f4ea-36
0.516
ALP-POS-e980f4ea-40
0.513
ALP-POS-ced8ea4d-45
0.512
BRU-THA-92256091-4
0.512
ALP-POS-ced8ea4d-6
0.512
ALP-POS-e980f4ea-44
0.508
ALP-POS-e980f4ea-21
0.508
MIC-UNK-8686cf1d-4
0.508
ALP-POS-e980f4ea-16
0.504
MIC-UNK-8686cf1d-3
0.504