Molecular Properties | |
SMILES: | CN1C(=O)CCc2cc(N(C(=O)c3cnc[nH]3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)ccc21 |
MW: | 526.21 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 111.29 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-78
0.777
ALP-POS-e980f4ea-30
0.772
ALP-POS-ced8ea4d-1
0.739
ALP-POS-e980f4ea-53
0.678
ALP-POS-e980f4ea-47
0.658
ALP-POS-e980f4ea-25
0.647
ALP-POS-e980f4ea-27
0.642
ALP-POS-e980f4ea-24
0.641
ALP-POS-e980f4ea-28
0.639
ALP-POS-e980f4ea-38
0.638
ALP-POS-e980f4ea-44
0.629
ALP-POS-e980f4ea-67
0.628
ALP-POS-e980f4ea-21
0.627
ALP-POS-e980f4ea-20
0.627
ALP-POS-e980f4ea-10
0.627
ALP-POS-e980f4ea-8
0.627
ALP-POS-e980f4ea-9
0.625
ALP-POS-e980f4ea-19
0.625
ALP-POS-e980f4ea-36
0.622
ALP-POS-e980f4ea-52
0.614
ALP-POS-e980f4ea-37
0.614
ALP-POS-e980f4ea-62
0.612
ALP-POS-e980f4ea-59
0.610
ALP-POS-e980f4ea-51
0.609
ALP-POS-e980f4ea-12
0.609
ALP-POS-e980f4ea-5
0.609
ALP-POS-e980f4ea-11
0.609
ALP-POS-e980f4ea-39
0.609
ALP-POS-e980f4ea-49
0.609
ALP-POS-e980f4ea-65
0.608
BRU-THA-92256091-77
0.606
ALP-POS-e980f4ea-50
0.603
ALP-POS-e980f4ea-17
0.600
ALP-POS-e980f4ea-18
0.600
ALP-POS-e980f4ea-63
0.598
ALP-POS-e980f4ea-16
0.597
ALP-POS-e980f4ea-15
0.577
ALP-POS-ced8ea4d-30
0.569
ALP-POS-e980f4ea-32
0.563
ALP-POS-e980f4ea-34
0.562
ALP-POS-e980f4ea-45
0.537
ALP-POS-e980f4ea-7
0.535
ALP-POS-305f6ec3-59
0.534
ALP-POS-e980f4ea-35
0.532
BRU-THA-92256091-54
0.523
ALP-POS-e980f4ea-64
0.521
ALP-POS-305f6ec3-2
0.521
ALP-POS-e980f4ea-22
0.517
ALP-POS-02c6a514-22
0.517
ALP-POS-e980f4ea-13
0.517
ALP-POS-305f6ec3-52
0.516
BRU-THA-92256091-76
0.515
ALP-POS-95f71980-17
0.513
ALP-POS-e980f4ea-54
0.513
ALP-POS-02c6a514-46
0.512
ALP-POS-305f6ec3-57
0.512
ALP-POS-02c6a514-52
0.508
BRU-THA-92256091-55
0.508
ALP-POS-305f6ec3-27
0.504
PET-UNK-7d68125a-1
0.504
PET-UNK-48ab5cd7-2
0.504
ALP-POS-305f6ec3-39
0.504
WIL-UNI-354943b6-2
0.504
ALP-POS-780445ae-6
0.504
ALP-POS-305f6ec3-12
0.504
ALP-POS-e980f4ea-23
0.504
ALP-POS-e980f4ea-3
0.504
ALP-POS-ced8ea4d-53
0.504
ALP-POS-e980f4ea-29
0.500
ALP-POS-e980f4ea-41
0.500
ALP-POS-95f71980-2
0.500
ALP-POS-e980f4ea-66
0.500
ALP-POS-305f6ec3-6
0.500
MAT-POS-f2460aef-3
0.500
ALP-POS-02c6a514-49
0.500
ALP-POS-e980f4ea-2
0.500
BRU-THA-92256091-51
0.496
ALP-POS-e980f4ea-6
0.496
ALP-POS-e980f4ea-43
0.496
WIL-UNI-354943b6-7
0.496
ALP-POS-305f6ec3-56
0.496
ALP-POS-b0bc6a46-24
0.496
BRU-THA-92256091-24
0.496
ALP-POS-1245c3fa-1
0.496
ALP-POS-02c6a514-39
0.496
ALP-POS-ced8ea4d-25
0.493
ALP-POS-e980f4ea-14
0.492
WIL-UNI-354943b6-10
0.492
BRU-THA-92256091-18
0.492
ALP-POS-305f6ec3-46
0.492
BRU-THA-92256091-22
0.492
LON-WEI-2e27a2e5-1
0.492
MAT-POS-f2460aef-1
0.492
BRU-THA-92256091-8
0.492
MAT-POS-f2460aef-2
0.492
LON-WEI-2e27a2e5-2
0.492
BRU-THA-92256091-67
0.489
ALP-POS-e980f4ea-31
0.489
ALP-POS-e980f4ea-55
0.488
BRU-THA-92256091-59
0.488