Molecular Properties | |
SMILES: | Cc1nc(C(=O)N(c2ccc(C(C)(C)C)cc2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)nn1-c1nnc[nH]1 |
MW: | 581.27 |
Fraction sp3: | 0.26 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 134.58 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
PET-UNK-48ab5cd7-2
0.692
ALP-POS-305f6ec3-55
0.670
ALP-POS-305f6ec3-6
0.640
LON-WEI-2e27a2e5-2
0.636
ALP-POS-305f6ec3-2
0.634
ALP-POS-305f6ec3-34
0.631
ALP-POS-305f6ec3-27
0.631
ALP-POS-305f6ec3-46
0.631
ALP-POS-02c6a514-22
0.631
ALP-POS-02c6a514-11
0.630
ALP-POS-95f71980-22
0.625
MAT-POS-f2460aef-3
0.625
ALP-POS-02c6a514-46
0.625
ALP-POS-305f6ec3-14
0.625
ALP-POS-305f6ec3-48
0.625
ALP-POS-305f6ec3-33
0.623
ALP-POS-305f6ec3-57
0.623
ALP-POS-305f6ec3-59
0.622
ALP-POS-02c6a514-12
0.622
ALP-POS-02c6a514-52
0.622
ALP-POS-95f71980-29
0.619
LON-WEI-2e27a2e5-1
0.618
MAT-POS-f2460aef-2
0.618
ALP-POS-02c6a514-26
0.618
MAT-POS-f2460aef-1
0.618
ALP-POS-95f71980-21
0.618
ALP-POS-305f6ec3-15
0.618
ALP-POS-305f6ec3-44
0.616
ALP-POS-305f6ec3-52
0.614
ALP-POS-305f6ec3-36
0.613
ALP-POS-95f71980-17
0.613
ALP-POS-95f71980-2
0.613
PET-UNK-48ab5cd7-1
0.611
ALP-POS-95f71980-25
0.611
MAT-POS-f2460aef-4
0.611
ALP-POS-02c6a514-25
0.611
ALP-POS-02c6a514-50
0.611
MAT-POS-f2460aef-5
0.611
ALP-POS-02c6a514-6
0.611
ALP-POS-02c6a514-49
0.611
ALP-POS-95f71980-7
0.611
ALP-POS-305f6ec3-49
0.607
ALP-POS-95f71980-4
0.607
ALP-POS-95f71980-6
0.605
ALP-POS-305f6ec3-56
0.605
ALP-POS-02c6a514-33
0.605
ALP-POS-305f6ec3-54
0.603
ALP-POS-305f6ec3-50
0.603
PET-UNK-48ab5cd7-3
0.602
ALP-POS-305f6ec3-41
0.602
ALP-POS-305f6ec3-38
0.600
ALP-POS-305f6ec3-40
0.600
LON-POS-586a7c45-1
0.600
LON-WEI-adc59df6-47
0.600
PAU-WEI-5b8d5051-1
0.600
PAU-WEI-5b8d5051-2
0.600
ALP-POS-305f6ec3-39
0.600
ALP-POS-305f6ec3-12
0.598
ALP-POS-305f6ec3-23
0.598
ALP-POS-95f71980-24
0.596
ALP-POS-305f6ec3-28
0.595
ALP-POS-305f6ec3-21
0.593
ALP-POS-305f6ec3-32
0.593
JOE-NOR-4e4adc6b-1
0.593
ALP-POS-95f71980-23
0.591
ALP-POS-95f71980-18
0.590
ALP-POS-02c6a514-40
0.590
ALP-POS-305f6ec3-20
0.590
PET-UNK-7d68125a-4
0.589
ALP-POS-305f6ec3-42
0.588
PET-UNK-7d68125a-1
0.588
ALP-POS-305f6ec3-7
0.587
ALP-POS-305f6ec3-3
0.586
ALP-POS-305f6ec3-35
0.585
PET-UNK-7d68125a-3
0.584
PET-UNK-7d68125a-2
0.584
ALP-POS-02c6a514-45
0.583
ALP-UNI-c3ef0aba-3
0.583
ALP-POS-305f6ec3-17
0.580
ALP-POS-305f6ec3-51
0.580
ALP-POS-305f6ec3-5
0.579
ALP-POS-305f6ec3-10
0.579
ALP-POS-305f6ec3-45
0.579
ALP-POS-305f6ec3-16
0.579
ALP-POS-305f6ec3-19
0.576
ALP-POS-305f6ec3-53
0.576
ALP-POS-95f71980-11
0.574
ALP-POS-305f6ec3-4
0.571
ALP-POS-305f6ec3-24
0.568
ALP-POS-305f6ec3-37
0.567
ALP-POS-305f6ec3-9
0.563
ALP-POS-02c6a514-51
0.563
ALP-POS-e980f4ea-27
0.561
ALP-POS-e980f4ea-19
0.560
WIL-UNI-354943b6-10
0.559
ALP-POS-305f6ec3-13
0.559
ALP-POS-305f6ec3-31
0.556
ALP-POS-305f6ec3-25
0.550
ALP-POS-02c6a514-17
0.550
ALP-POS-305f6ec3-43
0.550