Molecular Properties | |
SMILES: | CC(C)S(=O)(=O)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 549.18 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 125.12 |
cLogP: | 3.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.0 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-e980f4ea-9
0.837
ALP-POS-e980f4ea-27
0.785
ALP-POS-e980f4ea-11
0.773
ALP-POS-e980f4ea-28
0.763
ALP-POS-e980f4ea-52
0.763
ALP-POS-e980f4ea-19
0.760
ALP-POS-e980f4ea-12
0.755
ALP-POS-e980f4ea-17
0.755
ALP-POS-e980f4ea-67
0.745
BRU-THA-92256091-14
0.740
ALP-POS-e980f4ea-51
0.737
ALP-POS-e980f4ea-37
0.727
ALP-POS-e980f4ea-62
0.723
ALP-POS-ced8ea4d-5
0.706
ALP-POS-e980f4ea-16
0.702
ALP-POS-e980f4ea-39
0.686
ALP-POS-e980f4ea-49
0.686
ALP-POS-e980f4ea-50
0.661
ALP-POS-e980f4ea-44
0.660
ALP-POS-e980f4ea-32
0.658
ALP-POS-e980f4ea-21
0.657
ALP-POS-e980f4ea-63
0.657
ALP-POS-e980f4ea-38
0.654
ALP-POS-e980f4ea-10
0.642
ALP-POS-e980f4ea-20
0.642
ALP-POS-e980f4ea-24
0.642
ALP-POS-e980f4ea-8
0.642
ALP-POS-e980f4ea-18
0.642
ALP-POS-e980f4ea-59
0.639
ALP-POS-e980f4ea-53
0.636
ALP-POS-e980f4ea-65
0.636
ALP-POS-e980f4ea-36
0.636
ALP-POS-e980f4ea-25
0.634
ALP-POS-e980f4ea-47
0.631
ALP-POS-e980f4ea-15
0.616
ALP-POS-305f6ec3-59
0.615
BRU-THA-92256091-15
0.613
ALP-POS-e980f4ea-1
0.609
ALP-POS-e980f4ea-7
0.604
ALP-POS-e980f4ea-64
0.602
ALP-POS-e980f4ea-34
0.600
ALP-POS-02c6a514-52
0.600
ALP-POS-305f6ec3-39
0.593
ALP-POS-305f6ec3-52
0.593
ALP-POS-e980f4ea-54
0.590
ALP-POS-e980f4ea-30
0.588
ALP-POS-ced8ea4d-9
0.583
PET-UNK-48ab5cd7-2
0.579
ALP-POS-e980f4ea-35
0.579
ALF-EVA-719172df-6
0.577
ALP-POS-e980f4ea-41
0.574
ALP-POS-e980f4ea-58
0.573
BRU-THA-92256091-24
0.570
ALP-POS-1245c3fa-1
0.570
BRU-THA-92256091-20
0.568
LON-WEI-2e27a2e5-2
0.567
ALP-POS-95f71980-21
0.566
ALP-POS-e980f4ea-13
0.565
BRU-THA-92256091-22
0.565
ALP-POS-e980f4ea-22
0.565
PAU-WEI-5b8d5051-2
0.562
ALP-POS-02c6a514-11
0.562
ALP-POS-95f71980-2
0.561
BRU-THA-92256091-83
0.560
ALP-POS-95f71980-22
0.560
ALP-POS-02c6a514-46
0.560
MAT-POS-f2460aef-3
0.560
ALP-POS-305f6ec3-6
0.560
ALP-POS-305f6ec3-14
0.560
ALP-POS-e980f4ea-2
0.559
BRU-THA-92256091-23
0.559
ALP-POS-e980f4ea-45
0.558
ALP-POS-02c6a514-38
0.557
ALP-POS-b0bc6a46-23
0.557
ALP-POS-95f71980-4
0.556
BRU-THA-92256091-19
0.555
ALP-POS-305f6ec3-2
0.555
BRU-THA-92256091-17
0.554
LON-WEI-2e27a2e5-1
0.551
MAT-POS-f2460aef-2
0.551
ALP-POS-02c6a514-26
0.551
MAT-POS-f2460aef-1
0.551
BRU-THA-92256091-8
0.551
ALP-POS-02c6a514-22
0.550
ALP-POS-305f6ec3-27
0.550
ALP-POS-ced8ea4d-27
0.550
WIL-UNI-354943b6-2
0.550
WIL-UNI-354943b6-10
0.550
BRU-THA-92256091-18
0.550
BRU-THA-92256091-32
0.550
BRU-THA-92256091-21
0.549
ALP-POS-305f6ec3-35
0.549
ALP-POS-b0bc6a46-22
0.546
ALP-POS-02c6a514-37
0.546
ALP-POS-95f71980-17
0.546
ALP-POS-02c6a514-49
0.545
ALP-POS-02c6a514-50
0.545
MAT-POS-f2460aef-5
0.545
MAT-POS-f2460aef-4
0.545
PET-UNK-48ab5cd7-1
0.545