Molecular Properties | |
SMILES: | CCOc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cn1 |
MW: | 488.2 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 113.1 |
cLogP: | 3.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-e980f4ea-39
0.849
ALP-POS-e980f4ea-37
0.781
ALP-POS-e980f4ea-67
0.763
BRU-THA-92256091-31
0.747
ALP-POS-e980f4ea-27
0.729
ALP-POS-e980f4ea-28
0.726
ALP-POS-e980f4ea-19
0.724
ALP-POS-e980f4ea-52
0.710
ALP-POS-e980f4ea-9
0.707
ALP-POS-ced8ea4d-49
0.706
ALP-POS-e980f4ea-51
0.703
ALP-POS-e980f4ea-12
0.703
ALP-POS-e980f4ea-5
0.686
ALP-POS-e980f4ea-11
0.686
ALP-POS-e980f4ea-44
0.676
ALP-POS-e980f4ea-63
0.673
ALP-POS-e980f4ea-62
0.673
ALP-POS-e980f4ea-32
0.658
ALP-POS-e980f4ea-24
0.657
ALP-POS-e980f4ea-10
0.657
ALP-POS-e980f4ea-18
0.657
ALP-POS-e980f4ea-16
0.654
ALP-POS-e980f4ea-38
0.654
ALP-POS-e980f4ea-36
0.651
ALP-POS-e980f4ea-50
0.645
ALP-POS-e980f4ea-15
0.645
ALP-POS-e980f4ea-8
0.642
ALP-POS-e980f4ea-20
0.642
ALP-POS-e980f4ea-21
0.642
ALP-POS-e980f4ea-17
0.642
ALP-POS-e980f4ea-59
0.639
ALP-POS-e980f4ea-53
0.636
ALP-POS-e980f4ea-65
0.636
BRU-THA-92256091-30
0.632
ALP-POS-e980f4ea-47
0.631
ALP-POS-e980f4ea-34
0.630
ALP-POS-e980f4ea-25
0.619
ALP-POS-e980f4ea-1
0.609
ALP-POS-e980f4ea-7
0.604
ALP-POS-ced8ea4d-39
0.596
PET-UNK-48ab5cd7-2
0.594
ALP-POS-e980f4ea-35
0.593
ALP-POS-e980f4ea-30
0.588
ALP-POS-e980f4ea-64
0.587
ALP-POS-305f6ec3-59
0.585
BRU-THA-92256091-18
0.578
BRU-THA-92256091-32
0.578
ALP-POS-e980f4ea-54
0.575
ALP-POS-e980f4ea-66
0.573
ALP-POS-e980f4ea-13
0.565
ALP-POS-e980f4ea-22
0.565
ALP-POS-305f6ec3-52
0.564
ALP-POS-e980f4ea-41
0.560
ALP-POS-e980f4ea-58
0.559
ALP-POS-305f6ec3-57
0.559
ALP-POS-e980f4ea-45
0.558
BRU-THA-92256091-24
0.556
ALP-POS-02c6a514-52
0.556
ALP-POS-1245c3fa-1
0.556
BRU-THA-92256091-19
0.555
LON-WEI-2e27a2e5-2
0.552
BRU-THA-92256091-8
0.551
BRU-THA-92256091-22
0.550
ALP-POS-02c6a514-22
0.550
WIL-UNI-354943b6-10
0.550
ALP-POS-e980f4ea-40
0.549
ALP-POS-e980f4ea-14
0.549
MAT-POS-f2460aef-3
0.545
ALP-POS-02c6a514-46
0.545
ALP-POS-ced8ea4d-37
0.545
ALP-POS-305f6ec3-33
0.545
BRU-THA-92256091-23
0.545
ALP-POS-e980f4ea-2
0.545
ALP-POS-ced8ea4d-67
0.545
ALP-POS-e980f4ea-29
0.544
ALP-POS-e980f4ea-48
0.543
ALP-POS-02c6a514-38
0.542
ALP-POS-b0bc6a46-23
0.542
BRU-THA-92256091-15
0.541
ALP-POS-95f71980-23
0.541
ALP-POS-305f6ec3-2
0.541
BRU-THA-92256091-16
0.540
BRU-THA-92256091-17
0.540
ALP-POS-e980f4ea-6
0.539
ALP-POS-e980f4ea-46
0.539
ALP-POS-e980f4ea-56
0.539
WIL-UNI-354943b6-4
0.538
ALP-POS-305f6ec3-27
0.536
ALP-POS-305f6ec3-39
0.536
WIL-UNI-354943b6-2
0.536
PAU-WEI-5b8d5051-2
0.533
ALP-POS-02c6a514-11
0.533
ALF-EVA-719172df-6
0.533
ALP-POS-b0bc6a46-22
0.532
ALP-POS-02c6a514-37
0.532
ALP-POS-95f71980-2
0.532
ALP-POS-305f6ec3-14
0.532
ALP-POS-305f6ec3-55
0.532
MAT-POS-f2460aef-4
0.532
MAT-POS-f2460aef-5
0.532