Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cnc(C3CCOC3)s2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 586.24 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 84.42 |
cLogP: | 6.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-305f6ec3-2
0.655
ALP-POS-95f71980-2
0.649
ALP-POS-305f6ec3-41
0.637
ALP-POS-305f6ec3-23
0.619
ALP-POS-02c6a514-46
0.617
ALP-POS-02c6a514-49
0.617
ALP-POS-02c6a514-12
0.614
ALP-POS-305f6ec3-49
0.614
LON-WEI-2e27a2e5-2
0.613
ALP-POS-95f71980-23
0.612
MAT-POS-f2460aef-2
0.611
MAT-POS-f2460aef-1
0.611
ALP-POS-95f71980-21
0.611
LON-WEI-2e27a2e5-1
0.611
ALP-POS-305f6ec3-27
0.609
ALP-POS-305f6ec3-44
0.609
PET-UNK-48ab5cd7-2
0.609
ALP-POS-02c6a514-22
0.609
ALP-POS-305f6ec3-42
0.608
ALP-POS-02c6a514-11
0.607
ALP-POS-305f6ec3-38
0.607
ALP-POS-95f71980-17
0.605
MAT-POS-f2460aef-3
0.603
ALP-POS-02c6a514-50
0.603
ALP-POS-95f71980-22
0.603
ALP-POS-02c6a514-52
0.600
ALP-POS-95f71980-4
0.600
ALP-POS-305f6ec3-59
0.600
ALP-POS-95f71980-6
0.598
ALP-POS-95f71980-29
0.598
ALP-POS-02c6a514-17
0.597
ALP-POS-02c6a514-26
0.596
ALP-POS-305f6ec3-46
0.595
PET-UNK-48ab5cd7-3
0.595
ALP-POS-305f6ec3-7
0.593
ALP-POS-305f6ec3-3
0.593
PAU-WEI-5b8d5051-1
0.593
LON-POS-586a7c45-1
0.593
LON-WEI-adc59df6-47
0.593
ALP-POS-305f6ec3-35
0.592
MAT-POS-f2460aef-4
0.590
MAT-POS-f2460aef-5
0.590
ALP-POS-305f6ec3-6
0.590
ALP-POS-305f6ec3-55
0.590
ALP-POS-95f71980-7
0.590
ALP-POS-95f71980-25
0.590
ALP-POS-95f71980-24
0.590
PET-UNK-48ab5cd7-1
0.590
ALP-POS-305f6ec3-14
0.590
ALP-POS-305f6ec3-57
0.588
ALP-POS-305f6ec3-33
0.588
ALP-POS-305f6ec3-56
0.585
ALP-POS-305f6ec3-19
0.583
ALP-POS-95f71980-18
0.583
ALP-POS-02c6a514-51
0.583
PET-UNK-7d68125a-1
0.581
ALP-POS-305f6ec3-1
0.581
ALP-POS-305f6ec3-39
0.580
ALP-POS-305f6ec3-40
0.580
ALP-POS-305f6ec3-52
0.580
PAU-WEI-5b8d5051-2
0.579
ALP-POS-305f6ec3-4
0.579
ALP-POS-305f6ec3-12
0.579
ALP-POS-305f6ec3-22
0.577
ALP-POS-02c6a514-6
0.576
ALP-POS-02c6a514-25
0.576
ALP-POS-305f6ec3-48
0.576
ALP-POS-305f6ec3-28
0.575
ALP-POS-305f6ec3-17
0.574
ALP-POS-95f71980-19
0.574
ALP-POS-305f6ec3-5
0.573
ALP-POS-02c6a514-33
0.571
ALP-POS-305f6ec3-20
0.570
ALP-POS-305f6ec3-50
0.570
ALP-POS-305f6ec3-58
0.569
PET-UNK-7d68125a-4
0.569
ALP-POS-305f6ec3-43
0.568
ALP-POS-305f6ec3-36
0.568
ALP-POS-305f6ec3-47
0.567
ALP-POS-305f6ec3-26
0.565
PET-UNK-7d68125a-3
0.564
PET-UNK-7d68125a-2
0.564
ALP-UNI-c3ef0aba-3
0.563
ALP-POS-305f6ec3-37
0.562
ALP-POS-305f6ec3-51
0.561
JOE-NOR-4e4adc6b-1
0.559
ALP-POS-02c6a514-40
0.557
ALP-POS-305f6ec3-54
0.557
ALP-POS-305f6ec3-11
0.557
ALP-POS-305f6ec3-31
0.550
BRU-THA-92256091-80
0.548
ALP-POS-ced8ea4d-62
0.548
ALP-POS-305f6ec3-10
0.548
ALP-POS-305f6ec3-45
0.548
ALP-POS-305f6ec3-16
0.548
ALP-POS-e980f4ea-62
0.545
ALP-POS-95f71980-11
0.543
ALP-POS-305f6ec3-18
0.543
ALP-POS-305f6ec3-30
0.543
WIL-UNI-354943b6-10
0.541