Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cn3ccccc3n2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 549.25 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 79.6 |
cLogP: | 5.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 18.2038870169188 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-50
0.709
ALP-POS-305f6ec3-48
0.709
ALP-POS-95f71980-4
0.706
ALP-POS-02c6a514-11
0.700
PET-UNK-48ab5cd7-3
0.699
ALP-POS-305f6ec3-46
0.699
ALP-POS-305f6ec3-54
0.698
ALP-POS-95f71980-17
0.696
LON-WEI-2e27a2e5-2
0.690
ALP-POS-305f6ec3-50
0.682
PET-UNK-48ab5cd7-1
0.676
ALP-POS-305f6ec3-14
0.676
ALP-POS-95f71980-7
0.676
MAT-POS-f2460aef-3
0.676
ALP-POS-95f71980-24
0.676
ALP-POS-95f71980-25
0.676
ALP-POS-02c6a514-26
0.670
ALP-POS-95f71980-23
0.670
ALP-POS-305f6ec3-27
0.667
ALP-POS-305f6ec3-38
0.664
ALP-POS-95f71980-2
0.663
ALP-POS-305f6ec3-12
0.661
MAT-POS-f2460aef-5
0.660
ALP-POS-305f6ec3-33
0.657
ALP-POS-305f6ec3-28
0.657
ALP-POS-305f6ec3-2
0.654
ALP-POS-305f6ec3-56
0.654
LON-WEI-2e27a2e5-1
0.654
ALP-POS-95f71980-21
0.654
MAT-POS-f2460aef-2
0.654
MAT-POS-f2460aef-1
0.654
ALP-POS-305f6ec3-10
0.652
ALP-POS-02c6a514-22
0.651
ALP-POS-95f71980-11
0.646
ALP-POS-305f6ec3-55
0.645
ALP-POS-02c6a514-6
0.645
ALP-POS-305f6ec3-6
0.645
ALP-POS-02c6a514-25
0.645
ALP-POS-305f6ec3-57
0.642
ALP-POS-305f6ec3-49
0.642
ALP-POS-02c6a514-12
0.642
ALP-POS-305f6ec3-59
0.642
ALP-POS-02c6a514-52
0.642
ALP-POS-95f71980-6
0.639
ALP-POS-95f71980-29
0.639
ALP-POS-02c6a514-33
0.639
ALP-POS-305f6ec3-44
0.636
PET-UNK-48ab5cd7-2
0.636
ALP-POS-305f6ec3-41
0.636
PAU-WEI-5b8d5051-1
0.635
PAU-WEI-5b8d5051-2
0.635
LON-WEI-adc59df6-47
0.635
LON-POS-586a7c45-1
0.635
ALP-POS-305f6ec3-52
0.633
ALP-POS-305f6ec3-40
0.633
ALP-UNI-fe744232-18
0.633
ALP-POS-305f6ec3-53
0.632
MAT-POS-f2460aef-4
0.630
ALP-POS-02c6a514-46
0.630
ALP-POS-02c6a514-49
0.630
ALP-POS-95f71980-22
0.630
ALP-POS-305f6ec3-13
0.627
ALP-POS-305f6ec3-21
0.624
ALP-POS-305f6ec3-5
0.623
PET-UNK-7d68125a-4
0.623
ALP-POS-02c6a514-40
0.622
ALP-POS-95f71980-18
0.622
ALP-POS-305f6ec3-3
0.618
ALP-POS-305f6ec3-39
0.618
ALP-POS-305f6ec3-1
0.617
PET-UNK-7d68125a-2
0.617
PET-UNK-7d68125a-3
0.617
ALP-POS-95f71980-36
0.616
JOE-NOR-4e4adc6b-1
0.611
ALP-POS-305f6ec3-51
0.611
ALP-POS-305f6ec3-17
0.611
ALP-POS-305f6ec3-32
0.610
ALP-POS-305f6ec3-37
0.608
ALP-POS-95f71980-19
0.608
ALP-POS-305f6ec3-20
0.607
ALP-POS-305f6ec3-19
0.607
PET-UNK-7d68125a-1
0.606
ALP-POS-305f6ec3-9
0.605
WIL-UNI-354943b6-10
0.604
ALP-POS-305f6ec3-36
0.603
ALP-POS-305f6ec3-11
0.603
ALP-POS-305f6ec3-23
0.602
ALP-POS-305f6ec3-4
0.602
ALP-POS-305f6ec3-35
0.602
ALP-UNI-c3ef0aba-3
0.600
ALP-POS-305f6ec3-34
0.595
ALP-POS-305f6ec3-45
0.595
ALP-POS-02c6a514-17
0.593
ALP-POS-305f6ec3-42
0.591
ALP-POS-ced8ea4d-27
0.591
ALP-POS-305f6ec3-7
0.590
ALP-POS-305f6ec3-18
0.590
ALP-POS-ced8ea4d-19
0.589
ALP-POS-305f6ec3-43
0.589
ALP-POS-305f6ec3-30
0.588