Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cocn1)C1COC2(CCCC2)C1 |
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 |
Long aliphatic chain
BRU-THA-92256091-48
0.796
BRU-THA-92256091-40
0.752
ALP-POS-e980f4ea-57
0.730
ALP-POS-ced8ea4d-56
0.727
ALP-POS-ced8ea4d-13
0.720
ALP-POS-ced8ea4d-22
0.720
ALP-POS-ced8ea4d-14
0.709
ALP-POS-ced8ea4d-61
0.708
ALP-POS-ced8ea4d-66
0.706
ALP-POS-ced8ea4d-2
0.700
ALP-POS-ced8ea4d-6
0.699
ALP-POS-ced8ea4d-45
0.688
ALP-POS-ced8ea4d-42
0.678
ALP-POS-ced8ea4d-43
0.661
ALP-POS-ced8ea4d-4
0.655
ALP-POS-ced8ea4d-31
0.653
ALP-POS-ced8ea4d-60
0.653
ALP-POS-ced8ea4d-55
0.650
ALP-POS-ced8ea4d-26
0.631
ALP-POS-ced8ea4d-33
0.619
ALP-POS-ced8ea4d-29
0.610
ALP-POS-ced8ea4d-3
0.590
ALP-POS-ced8ea4d-23
0.590
ALP-POS-ced8ea4d-7
0.586
ALP-POS-ced8ea4d-41
0.573
ALP-POS-ced8ea4d-62
0.571
BRU-THA-92256091-49
0.570
ALP-POS-ced8ea4d-64
0.570
ALP-POS-95f71980-14
0.564
ALP-POS-ced8ea4d-63
0.563
ALP-POS-ced8ea4d-28
0.561
BRU-THA-92256091-10
0.558
BRU-THA-92256091-39
0.558
BRU-THA-92256091-36
0.557
ALP-POS-ced8ea4d-59
0.557
ALP-POS-ced8ea4d-9
0.556
ALP-POS-ced8ea4d-54
0.556
ALP-POS-ced8ea4d-11
0.555
BRU-THA-92256091-34
0.554
ALP-POS-95f71980-28
0.552
ALP-POS-ced8ea4d-27
0.552
BRU-THA-92256091-2
0.551
BRU-THA-92256091-9
0.551
BRU-THA-92256091-13
0.551
ALP-POS-95f71980-1
0.550
BRU-THA-92256091-1
0.550
BRU-THA-92256091-46
0.548
ALP-POS-02c6a514-50
0.547
ALP-POS-95f71980-9
0.547
ALP-POS-ced8ea4d-37
0.546
BRU-THA-92256091-50
0.545
ALP-POS-95f71980-10
0.544
ALP-POS-ced8ea4d-49
0.542
ALP-UNI-fe744232-14
0.542
ALP-POS-95f71980-16
0.542
BRU-THA-92256091-33
0.541
ALP-POS-e980f4ea-56
0.541
ALP-UNI-fe744232-22
0.541
ALP-UNI-fe744232-11
0.540
ALP-POS-ced8ea4d-46
0.540
BRU-THA-92256091-37
0.540
ALP-POS-95f71980-15
0.539
ALP-POS-ced8ea4d-32
0.539
ALP-UNI-fe744232-18
0.538
ALP-POS-ced8ea4d-19
0.538
ALP-POS-95f71980-36
0.537
BRU-THA-92256091-38
0.537
ALP-POS-95f71980-20
0.537
ALP-POS-95f71980-3
0.537
ALP-POS-ced8ea4d-17
0.536
ALP-UNI-fe744232-3
0.533
ALP-POS-ced8ea4d-67
0.533
ALP-POS-95f71980-39
0.533
ALP-POS-95f71980-31
0.533
BRU-THA-92256091-70
0.532
ALP-POS-ced8ea4d-52
0.529
ALP-POS-ced8ea4d-5
0.529
ALP-POS-ced8ea4d-39
0.529
ALP-POS-95f71980-13
0.529
ALP-POS-ced8ea4d-58
0.528
ALP-POS-95f71980-27
0.528
ALP-POS-95f71980-34
0.528
BRU-THA-92256091-56
0.527
ALP-POS-e980f4ea-13
0.525
ALP-POS-e980f4ea-22
0.525
ALP-UNI-fe744232-9
0.525
ALP-POS-ced8ea4d-12
0.525
ALP-POS-ced8ea4d-51
0.525
ALP-UNI-fe744232-1
0.524
ALP-POS-95f71980-41
0.524
ALP-POS-ced8ea4d-40
0.524
BRU-THA-92256091-71
0.524
ALP-POS-ced8ea4d-35
0.524
ALP-POS-ced8ea4d-53
0.524
ALP-POS-95f71980-38
0.523
ALP-UNI-fe744232-12
0.520
BRU-THA-92256091-25
0.520
BRU-THA-92256091-69
0.520
ALP-POS-95f71980-5
0.520
BRU-THA-92256091-3
0.520