Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1cnc[nH]1)c1ccc(Cn2cccn2)cc1 |
MW: | 523.21 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 108.8 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 35.4776839816408 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
BRU-THA-92256091-86
0.752
ALP-POS-e980f4ea-27
0.745
ALP-POS-e980f4ea-52
0.743
ALP-POS-e980f4ea-11
0.735
ALP-POS-ced8ea4d-16
0.726
ALP-POS-e980f4ea-28
0.724
ALP-POS-e980f4ea-9
0.723
ALP-POS-e980f4ea-19
0.723
ALP-POS-e980f4ea-67
0.709
ALP-POS-e980f4ea-5
0.702
ALP-POS-e980f4ea-51
0.702
ALP-POS-e980f4ea-12
0.702
ALP-POS-e980f4ea-62
0.689
ALP-POS-e980f4ea-37
0.676
ALP-POS-e980f4ea-17
0.673
ALP-POS-e980f4ea-38
0.655
ALP-POS-e980f4ea-49
0.654
ALP-POS-e980f4ea-39
0.654
ALP-POS-e980f4ea-8
0.643
ALP-POS-e980f4ea-20
0.643
ALP-POS-e980f4ea-44
0.631
ALP-POS-e980f4ea-32
0.629
ALP-POS-e980f4ea-10
0.628
ALP-POS-e980f4ea-18
0.628
ALP-POS-e980f4ea-63
0.627
ALP-POS-305f6ec3-59
0.617
ALP-POS-e980f4ea-21
0.614
ALP-POS-e980f4ea-24
0.614
ALP-POS-e980f4ea-59
0.611
ALP-POS-305f6ec3-52
0.609
ALP-POS-e980f4ea-53
0.609
ALP-POS-e980f4ea-65
0.609
ALP-POS-e980f4ea-36
0.609
ALP-POS-e980f4ea-50
0.603
ALP-POS-e980f4ea-47
0.603
ALP-POS-02c6a514-52
0.602
ALP-POS-e980f4ea-1
0.597
ALP-POS-e980f4ea-35
0.595
ALP-POS-e980f4ea-25
0.593
ALP-POS-e980f4ea-15
0.590
PET-UNK-48ab5cd7-2
0.582
ALP-POS-305f6ec3-39
0.580
ALP-POS-e980f4ea-30
0.577
MAT-POS-f2460aef-4
0.577
ALP-POS-e980f4ea-7
0.575
ALP-POS-e980f4ea-64
0.574
ALP-POS-e980f4ea-34
0.574
ALP-POS-305f6ec3-2
0.571
LON-WEI-2e27a2e5-2
0.570
ALP-POS-02c6a514-22
0.568
ALP-POS-305f6ec3-46
0.568
ALP-POS-02c6a514-11
0.565
ALP-POS-95f71980-2
0.564
ALP-POS-02c6a514-46
0.562
MAT-POS-f2460aef-3
0.562
ALP-POS-305f6ec3-6
0.562
ALP-POS-02c6a514-50
0.562
ALP-POS-95f71980-22
0.562
ALP-POS-305f6ec3-57
0.561
BRU-THA-92256091-85
0.560
ALP-POS-1245c3fa-1
0.559
ALP-POS-305f6ec3-54
0.557
MAT-POS-f2460aef-1
0.555
ALP-POS-02c6a514-26
0.555
ALP-POS-95f71980-21
0.555
LON-WEI-2e27a2e5-1
0.555
MAT-POS-f2460aef-2
0.555
ALP-POS-305f6ec3-27
0.554
ALP-POS-305f6ec3-41
0.554
ALP-POS-305f6ec3-3
0.553
ALP-POS-95f71980-17
0.550
ALP-POS-e980f4ea-54
0.550
ALP-POS-305f6ec3-31
0.549
ALP-POS-305f6ec3-48
0.549
ALP-POS-305f6ec3-55
0.549
PET-UNK-48ab5cd7-1
0.549
ALP-POS-02c6a514-49
0.549
ALP-POS-e980f4ea-41
0.549
ALP-POS-305f6ec3-14
0.549
MAT-POS-f2460aef-5
0.549
ALP-POS-e980f4ea-2
0.548
BRU-THA-92256091-23
0.548
ALP-POS-305f6ec3-28
0.548
ALP-POS-305f6ec3-33
0.548
ALP-POS-e980f4ea-45
0.547
ALP-POS-02c6a514-12
0.545
ALP-POS-95f71980-4
0.545
ALP-POS-305f6ec3-49
0.545
BRU-THA-92256091-24
0.545
ALP-POS-95f71980-6
0.544
ALP-POS-95f71980-23
0.544
ALP-POS-95f71980-29
0.544
ALP-POS-305f6ec3-56
0.544
ALP-POS-305f6ec3-20
0.543
ALP-POS-ced8ea4d-11
0.543
ALP-POS-ced8ea4d-52
0.543
BRU-THA-92256091-20
0.543
ALP-POS-ced8ea4d-27
0.540
ALP-POS-e980f4ea-22
0.540
PET-UNK-48ab5cd7-3
0.540