Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2c[nH]nn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 500.23 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 103.87 |
cLogP: | 4.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.17054937449855 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-f2460aef-3
0.768
ALP-POS-95f71980-17
0.755
ALP-POS-305f6ec3-38
0.753
ALP-POS-95f71980-7
0.750
ALP-POS-95f71980-22
0.750
ALP-POS-305f6ec3-48
0.750
LON-WEI-2e27a2e5-2
0.750
MAT-POS-f2460aef-5
0.750
ALP-POS-95f71980-4
0.747
ALP-POS-305f6ec3-28
0.745
ALP-POS-02c6a514-11
0.742
PET-UNK-48ab5cd7-3
0.740
ALP-POS-305f6ec3-46
0.740
ALP-POS-95f71980-25
0.732
PET-UNK-48ab5cd7-1
0.732
ALP-POS-02c6a514-50
0.732
ALP-POS-95f71980-24
0.732
ALP-POS-02c6a514-52
0.729
ALP-POS-305f6ec3-33
0.727
ALP-POS-02c6a514-26
0.726
ALP-POS-95f71980-23
0.724
PET-UNK-48ab5cd7-2
0.722
ALP-POS-305f6ec3-50
0.720
ALP-POS-02c6a514-25
0.714
ALP-POS-305f6ec3-59
0.711
ALP-POS-02c6a514-12
0.711
ALP-POS-95f71980-21
0.708
LON-WEI-2e27a2e5-1
0.708
MAT-POS-f2460aef-1
0.708
MAT-POS-f2460aef-2
0.708
ALP-POS-95f71980-29
0.707
ALP-POS-305f6ec3-2
0.707
ALP-POS-305f6ec3-54
0.703
ALP-POS-95f71980-2
0.701
ALP-POS-305f6ec3-40
0.700
ALP-POS-305f6ec3-52
0.700
MAT-POS-f2460aef-4
0.697
ALP-POS-02c6a514-6
0.697
ALP-POS-02c6a514-46
0.697
ALP-POS-305f6ec3-6
0.697
ALP-POS-305f6ec3-12
0.696
ALP-POS-305f6ec3-49
0.694
ALP-POS-305f6ec3-57
0.693
ALP-POS-02c6a514-33
0.690
LON-POS-586a7c45-1
0.688
PAU-WEI-5b8d5051-1
0.688
PAU-WEI-5b8d5051-2
0.688
LON-WEI-adc59df6-47
0.688
ALP-POS-02c6a514-22
0.687
ALP-POS-305f6ec3-44
0.687
ALP-POS-305f6ec3-41
0.687
ALP-POS-305f6ec3-27
0.687
ALP-POS-02c6a514-40
0.686
ALP-POS-305f6ec3-10
0.686
WIL-UNI-354943b6-10
0.683
ALP-POS-305f6ec3-39
0.683
ALP-POS-02c6a514-49
0.680
ALP-POS-305f6ec3-55
0.680
ALP-POS-305f6ec3-35
0.680
ALP-POS-02c6a514-45
0.676
PET-UNK-7d68125a-4
0.673
ALP-POS-95f71980-6
0.673
ALP-POS-305f6ec3-56
0.673
ALP-POS-305f6ec3-51
0.673
ALP-POS-305f6ec3-20
0.670
ALP-POS-305f6ec3-21
0.670
ALP-POS-305f6ec3-3
0.667
PET-UNK-7d68125a-2
0.667
PET-UNK-7d68125a-3
0.667
ALP-POS-305f6ec3-42
0.667
ALP-POS-95f71980-11
0.664
ALP-POS-305f6ec3-1
0.664
ALP-POS-305f6ec3-23
0.663
ALP-UNI-c3ef0aba-3
0.663
JOE-NOR-4e4adc6b-1
0.660
ALP-POS-305f6ec3-45
0.654
ALP-POS-95f71980-18
0.654
ALP-POS-305f6ec3-19
0.654
PET-UNK-7d68125a-1
0.653
ALP-UNI-fe744232-18
0.650
ALP-POS-305f6ec3-53
0.649
ALP-POS-305f6ec3-4
0.648
ALP-POS-305f6ec3-43
0.643
ALP-POS-305f6ec3-13
0.643
ALP-POS-305f6ec3-17
0.642
ALP-POS-305f6ec3-32
0.640
ALP-POS-305f6ec3-16
0.639
ALP-POS-02c6a514-51
0.638
ALP-POS-305f6ec3-37
0.637
ALP-POS-305f6ec3-9
0.634
ALP-POS-305f6ec3-36
0.633
ALP-POS-95f71980-36
0.632
ALP-POS-305f6ec3-11
0.632
BRU-THA-92256091-24
0.627
ALP-POS-1245c3fa-1
0.627
ALP-POS-305f6ec3-8
0.625
BRU-THA-92256091-19
0.625
ALP-POS-305f6ec3-5
0.624
ALP-POS-95f71980-19
0.623
ALP-POS-02c6a514-17
0.623