Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cn(CCN3CCOCC3)nn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 613.32 |
Fraction sp3: | 0.38 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 11 |
TPSA: | 105.48 |
cLogP: | 4.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 10.4905361420152 |
pIC50 (µM) - Fluorescence | 4.97920231566072 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-305f6ec3-48
0.738
ALP-POS-305f6ec3-21
0.695
ALP-POS-305f6ec3-10
0.667
ALP-POS-305f6ec3-50
0.652
ALP-POS-305f6ec3-46
0.652
ALP-POS-305f6ec3-37
0.650
ALP-POS-02c6a514-50
0.646
ALP-POS-305f6ec3-58
0.645
ALP-POS-305f6ec3-43
0.643
ALP-POS-305f6ec3-12
0.632
MAT-POS-f2460aef-3
0.632
ALP-POS-305f6ec3-14
0.632
LON-WEI-2e27a2e5-2
0.627
ALP-POS-305f6ec3-26
0.627
ALP-POS-305f6ec3-2
0.626
ALP-POS-305f6ec3-54
0.624
PET-UNK-48ab5cd7-3
0.623
ALP-POS-305f6ec3-27
0.623
ALP-POS-02c6a514-11
0.622
ALP-POS-305f6ec3-38
0.621
ALP-POS-305f6ec3-55
0.617
ALP-POS-02c6a514-25
0.617
PET-UNK-48ab5cd7-1
0.617
ALP-POS-305f6ec3-57
0.615
ALP-POS-305f6ec3-22
0.614
ALP-POS-305f6ec3-56
0.612
MAT-POS-f2460aef-2
0.611
ALP-POS-02c6a514-26
0.611
MAT-POS-f2460aef-1
0.611
LON-WEI-2e27a2e5-1
0.611
ALP-POS-02c6a514-22
0.609
ALP-POS-305f6ec3-41
0.609
ALP-POS-305f6ec3-1
0.607
MAT-POS-f2460aef-5
0.603
MAT-POS-f2460aef-4
0.603
ALP-POS-02c6a514-45
0.603
ALP-POS-305f6ec3-33
0.602
ALP-POS-305f6ec3-28
0.602
ALP-POS-02c6a514-12
0.600
ALP-POS-305f6ec3-49
0.600
PET-UNK-7d68125a-4
0.596
ALP-POS-305f6ec3-9
0.595
PET-UNK-48ab5cd7-2
0.595
ALP-POS-305f6ec3-44
0.595
LON-POS-586a7c45-1
0.593
LON-WEI-adc59df6-47
0.593
PAU-WEI-5b8d5051-1
0.593
ALP-POS-305f6ec3-30
0.592
ALP-POS-02c6a514-52
0.586
ALP-POS-305f6ec3-59
0.586
ALP-POS-02c6a514-33
0.585
ALP-POS-305f6ec3-19
0.583
ALP-POS-02c6a514-17
0.583
ALP-POS-305f6ec3-53
0.583
ALP-POS-305f6ec3-42
0.582
ALP-POS-305f6ec3-7
0.581
ALP-POS-305f6ec3-3
0.580
ALP-POS-305f6ec3-52
0.580
ALP-POS-305f6ec3-40
0.580
PAU-WEI-5b8d5051-2
0.579
ALP-POS-305f6ec3-4
0.579
ALP-POS-305f6ec3-23
0.579
PET-UNK-7d68125a-2
0.578
PET-UNK-7d68125a-3
0.578
ALP-POS-02c6a514-6
0.576
ALP-POS-02c6a514-49
0.576
ALP-POS-305f6ec3-6
0.576
ALP-POS-02c6a514-46
0.576
ALP-POS-305f6ec3-32
0.575
ALP-POS-305f6ec3-17
0.574
PET-UNK-7d68125a-1
0.568
ALP-POS-305f6ec3-39
0.567
ALP-POS-305f6ec3-13
0.566
ALP-POS-305f6ec3-35
0.566
ALP-POS-88a7a97e-47
0.563
JOE-NOR-4e4adc6b-1
0.559
ALP-POS-02c6a514-40
0.557
ALP-POS-305f6ec3-20
0.557
ALP-POS-02c6a514-51
0.557
ALP-POS-305f6ec3-29
0.557
ALP-POS-305f6ec3-25
0.557
ALP-POS-305f6ec3-18
0.556
ALP-POS-ced8ea4d-19
0.554
ALP-POS-ced8ea4d-16
0.552
ALP-POS-d0876c20-12
0.552
ALP-POS-305f6ec3-51
0.548
ALP-POS-305f6ec3-5
0.548
ALP-POS-305f6ec3-16
0.548
ALP-POS-02c6a514-55
0.546
ALP-POS-305f6ec3-36
0.543
ALP-POS-305f6ec3-47
0.543
ALP-POS-ced8ea4d-27
0.542
ALP-POS-305f6ec3-24
0.538
ALP-POS-305f6ec3-31
0.538
ALP-POS-305f6ec3-8
0.538
ALP-POS-305f6ec3-15
0.538
PET-UNK-48ab5cd7-6
0.537
ALP-POS-ced8ea4d-67
0.537
ALP-POS-ced8ea4d-62
0.536
BRU-THA-92256091-86
0.535