Molecular Properties | |
SMILES: | COCc1nc(C)c(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)s1 |
MW: | 574.24 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 84.42 |
cLogP: | 6.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-305f6ec3-3
0.667
ALP-POS-02c6a514-25
0.664
LON-WEI-2e27a2e5-2
0.660
ALP-POS-02c6a514-11
0.654
ALP-POS-95f71980-17
0.651
ALP-POS-95f71980-2
0.651
ALP-POS-305f6ec3-23
0.649
MAT-POS-f2460aef-4
0.648
ALP-POS-02c6a514-49
0.648
ALP-POS-305f6ec3-2
0.642
ALP-POS-95f71980-23
0.642
LON-WEI-2e27a2e5-1
0.642
MAT-POS-f2460aef-2
0.642
MAT-POS-f2460aef-1
0.642
ALP-POS-02c6a514-26
0.642
ALP-POS-95f71980-21
0.642
PET-UNK-48ab5cd7-2
0.639
ALP-POS-305f6ec3-44
0.639
ALP-POS-305f6ec3-41
0.639
ALP-POS-305f6ec3-27
0.639
ALP-POS-305f6ec3-14
0.633
MAT-POS-f2460aef-5
0.633
ALP-POS-305f6ec3-6
0.633
ALP-POS-95f71980-7
0.633
ALP-POS-95f71980-24
0.633
ALP-POS-95f71980-4
0.630
ALP-POS-305f6ec3-49
0.630
ALP-POS-02c6a514-52
0.630
ALP-POS-02c6a514-12
0.630
ALP-POS-305f6ec3-59
0.630
ALP-POS-305f6ec3-17
0.628
ALP-POS-95f71980-29
0.627
ALP-POS-305f6ec3-5
0.626
ALP-POS-02c6a514-40
0.625
PET-UNK-48ab5cd7-3
0.624
ALP-POS-02c6a514-22
0.624
ALP-POS-305f6ec3-46
0.624
LON-POS-586a7c45-1
0.623
LON-WEI-adc59df6-47
0.623
PAU-WEI-5b8d5051-1
0.623
PAU-WEI-5b8d5051-2
0.623
ALP-POS-305f6ec3-39
0.622
ALP-POS-305f6ec3-40
0.622
ALP-POS-305f6ec3-55
0.618
ALP-POS-95f71980-25
0.618
MAT-POS-f2460aef-3
0.618
ALP-POS-02c6a514-46
0.618
ALP-POS-02c6a514-6
0.618
ALP-POS-02c6a514-50
0.618
ALP-POS-305f6ec3-48
0.618
PET-UNK-48ab5cd7-1
0.618
ALP-POS-95f71980-22
0.618
JOE-NOR-4e4adc6b-1
0.615
ALP-POS-305f6ec3-8
0.613
ALP-POS-95f71980-6
0.613
ALP-POS-305f6ec3-56
0.613
ALP-POS-02c6a514-33
0.613
ALP-POS-305f6ec3-15
0.612
PET-UNK-7d68125a-4
0.611
ALP-POS-95f71980-18
0.611
PET-UNK-7d68125a-1
0.609
ALP-POS-305f6ec3-38
0.607
ALP-POS-305f6ec3-52
0.607
ALP-POS-305f6ec3-7
0.607
PET-UNK-7d68125a-3
0.606
PET-UNK-7d68125a-2
0.606
ALP-POS-02c6a514-45
0.603
ALP-POS-305f6ec3-57
0.602
ALP-POS-305f6ec3-28
0.602
ALP-POS-305f6ec3-33
0.602
ALP-POS-305f6ec3-22
0.602
ALP-POS-305f6ec3-45
0.598
ALP-POS-305f6ec3-19
0.596
ALP-POS-305f6ec3-54
0.596
ALP-POS-305f6ec3-50
0.596
ALP-POS-305f6ec3-20
0.596
ALP-POS-305f6ec3-42
0.595
ALP-POS-305f6ec3-4
0.591
ALP-POS-305f6ec3-12
0.591
ALP-POS-305f6ec3-35
0.591
ALP-UNI-c3ef0aba-3
0.589
ALP-POS-305f6ec3-32
0.587
ALP-POS-305f6ec3-21
0.587
ALP-POS-305f6ec3-51
0.586
ALP-POS-02c6a514-17
0.583
ALP-POS-305f6ec3-53
0.582
ALP-POS-95f71980-11
0.580
ALP-POS-305f6ec3-31
0.574
ALP-POS-305f6ec3-34
0.573
ALP-POS-95f71980-19
0.573
ALP-POS-305f6ec3-10
0.571
ALP-POS-305f6ec3-16
0.571
ALP-POS-e980f4ea-52
0.570
ALP-POS-02c6a514-51
0.569
ALP-POS-305f6ec3-29
0.568
ALP-POS-305f6ec3-18
0.567
ALP-POS-305f6ec3-1
0.567
ALP-POS-e980f4ea-19
0.566
ALP-POS-305f6ec3-30
0.566
ALP-POS-02c6a514-37
0.562