Molecular Properties | |
SMILES: | Cn1nc2c(c1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1)CS(=O)(=O)CC2 |
MW: | 617.25 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 114.26 |
cLogP: | 4.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
LON-WEI-2e27a2e5-2
0.642
ALP-POS-305f6ec3-46
0.637
ALP-POS-02c6a514-22
0.623
ALP-POS-305f6ec3-27
0.623
PAU-WEI-5b8d5051-2
0.622
ALP-POS-02c6a514-11
0.622
ALP-POS-305f6ec3-55
0.617
ALP-POS-305f6ec3-2
0.612
ALP-POS-305f6ec3-56
0.612
ALP-POS-02c6a514-26
0.611
ALP-POS-305f6ec3-54
0.610
LON-POS-586a7c45-1
0.607
LON-WEI-adc59df6-47
0.607
PAU-WEI-5b8d5051-1
0.607
ALP-POS-305f6ec3-38
0.607
ALP-POS-95f71980-17
0.605
ALP-POS-02c6a514-49
0.603
ALP-POS-305f6ec3-48
0.603
ALP-POS-95f71980-22
0.603
PET-UNK-48ab5cd7-1
0.603
ALP-POS-02c6a514-46
0.603
ALP-POS-305f6ec3-57
0.602
ALP-POS-02c6a514-12
0.600
ALP-POS-305f6ec3-59
0.600
ALP-POS-95f71980-4
0.600
ALP-POS-305f6ec3-49
0.600
ALP-POS-95f71980-21
0.596
LON-WEI-2e27a2e5-1
0.596
MAT-POS-f2460aef-1
0.596
MAT-POS-f2460aef-2
0.596
ALP-POS-305f6ec3-44
0.595
PET-UNK-48ab5cd7-2
0.595
ALP-POS-305f6ec3-12
0.592
ALP-POS-95f71980-2
0.591
MAT-POS-f2460aef-3
0.590
MAT-POS-f2460aef-5
0.590
ALP-POS-02c6a514-6
0.590
ALP-POS-02c6a514-25
0.590
ALP-POS-02c6a514-50
0.590
ALP-POS-305f6ec3-6
0.590
ALP-POS-95f71980-24
0.590
ALP-POS-95f71980-25
0.590
ALP-POS-305f6ec3-33
0.588
ALP-POS-02c6a514-52
0.586
ALP-POS-305f6ec3-5
0.585
ALP-POS-95f71980-29
0.585
ALP-POS-02c6a514-33
0.585
ALP-POS-305f6ec3-50
0.583
ALP-POS-305f6ec3-9
0.583
PET-UNK-7d68125a-4
0.583
ALP-POS-305f6ec3-41
0.581
PET-UNK-48ab5cd7-3
0.581
ALP-POS-305f6ec3-39
0.580
ALP-POS-305f6ec3-52
0.580
PET-UNK-7d68125a-2
0.578
PET-UNK-7d68125a-3
0.578
MAT-POS-f2460aef-4
0.576
ALP-POS-95f71980-7
0.576
ALP-POS-305f6ec3-14
0.576
ALP-POS-305f6ec3-28
0.575
JOE-NOR-4e4adc6b-1
0.573
ALP-POS-305f6ec3-10
0.573
ALP-POS-95f71980-23
0.571
ALP-POS-95f71980-6
0.571
ALP-POS-02c6a514-51
0.570
ALP-POS-95f71980-18
0.570
ALP-POS-305f6ec3-19
0.570
ALP-POS-305f6ec3-7
0.568
PET-UNK-7d68125a-1
0.568
ALP-POS-305f6ec3-47
0.567
ALP-POS-305f6ec3-3
0.567
ALP-POS-305f6ec3-40
0.567
ALP-POS-305f6ec3-4
0.566
ALP-POS-305f6ec3-35
0.566
ALP-POS-305f6ec3-23
0.566
ALP-POS-02c6a514-45
0.565
ALP-UNI-c3ef0aba-3
0.563
ALP-POS-305f6ec3-17
0.561
ALP-POS-305f6ec3-51
0.561
ALP-POS-305f6ec3-53
0.558
ALP-POS-02c6a514-17
0.557
ALP-POS-02c6a514-40
0.557
ALP-POS-305f6ec3-20
0.557
ALP-POS-305f6ec3-11
0.557
ALP-POS-305f6ec3-1
0.556
ALP-POS-305f6ec3-30
0.555
ALP-POS-305f6ec3-26
0.553
ALP-POS-305f6ec3-8
0.550
ALP-POS-305f6ec3-42
0.544
ALP-POS-305f6ec3-18
0.543
ALP-POS-305f6ec3-24
0.538
ALP-POS-305f6ec3-32
0.538
ALP-POS-305f6ec3-21
0.538
ALP-POS-305f6ec3-34
0.538
ALP-POS-305f6ec3-16
0.535
ALP-POS-305f6ec3-45
0.535
LON-WEI-babf2c61-9
0.534
ALP-POS-305f6ec3-58
0.534
ALP-POS-305f6ec3-36
0.531
ALP-POS-95f71980-11
0.531