Molecular Properties | |
SMILES: | CC(C)Oc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 501.22 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 100.21 |
cLogP: | 4.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 0.72466625729237 |
IC50 (µM) - RapidFire: | 1.3970890728071 |
Order Status | |
Shipped: | 2021-01-08 |
Long aliphatic chain
ALP-POS-e980f4ea-51
0.870
ALP-POS-e980f4ea-19
0.837
ALP-POS-e980f4ea-67
0.819
ALP-POS-e980f4ea-27
0.785
ALP-POS-e980f4ea-28
0.763
ALP-POS-e980f4ea-52
0.763
ALP-POS-e980f4ea-9
0.760
ALP-POS-e980f4ea-5
0.755
ALP-POS-e980f4ea-62
0.740
BRU-THA-92256091-17
0.740
ALP-POS-e980f4ea-11
0.737
ALP-POS-e980f4ea-39
0.720
ALP-POS-e980f4ea-32
0.720
ALP-POS-e980f4ea-44
0.709
ALP-POS-e980f4ea-49
0.703
ALP-POS-e980f4ea-16
0.702
ALP-POS-ced8ea4d-12
0.699
ALP-POS-e980f4ea-37
0.693
ALP-POS-e980f4ea-17
0.689
ALP-POS-e980f4ea-20
0.657
ALP-POS-e980f4ea-63
0.657
ALP-POS-e980f4ea-38
0.654
ALP-POS-e980f4ea-65
0.651
ALP-POS-e980f4ea-50
0.645
ALP-POS-e980f4ea-15
0.645
ALP-POS-e980f4ea-24
0.642
ALP-POS-e980f4ea-8
0.642
ALP-POS-e980f4ea-21
0.642
ALP-POS-e980f4ea-10
0.642
ALP-POS-e980f4ea-18
0.642
BRU-THA-92256091-16
0.642
ALP-POS-e980f4ea-59
0.639
ALP-POS-e980f4ea-36
0.636
ALP-POS-e980f4ea-53
0.636
ALP-POS-e980f4ea-47
0.631
ALP-POS-e980f4ea-25
0.619
ALP-POS-305f6ec3-59
0.615
ALP-POS-e980f4ea-34
0.615
BRU-THA-92256091-19
0.613
ALP-POS-e980f4ea-1
0.609
BRU-THA-92256091-18
0.607
ALP-POS-02c6a514-37
0.606
ALP-POS-b0bc6a46-22
0.606
ALP-POS-ced8ea4d-51
0.606
ALP-POS-e980f4ea-7
0.604
ALP-POS-e980f4ea-64
0.602
ALP-POS-02c6a514-52
0.600
PET-UNK-48ab5cd7-2
0.594
ALP-POS-305f6ec3-52
0.593
ALP-POS-305f6ec3-39
0.593
ALF-EVA-719172df-6
0.592
ALP-POS-e980f4ea-54
0.590
ALP-POS-e980f4ea-30
0.588
WIL-UNI-354943b6-14
0.586
WIL-UNI-de614146-7
0.585
BRU-THA-92256091-22
0.579
ALP-POS-e980f4ea-35
0.579
WIL-UNI-de614146-1
0.579
ALP-POS-ced8ea4d-19
0.578
ALP-POS-e980f4ea-41
0.574
ALP-POS-ced8ea4d-67
0.573
ALP-POS-e980f4ea-58
0.573
ALP-POS-1245c3fa-1
0.570
BRU-THA-92256091-24
0.570
BRU-THA-92256091-93
0.569
LON-WEI-2e27a2e5-2
0.567
ALP-POS-e980f4ea-22
0.565
WIL-UNI-de614146-8
0.565
ALP-POS-e980f4ea-13
0.565
ALP-POS-02c6a514-11
0.562
WIL-UNI-de614146-11
0.561
ALP-POS-95f71980-2
0.561
ALP-POS-02c6a514-25
0.560
ALP-POS-02c6a514-46
0.560
ALP-POS-305f6ec3-6
0.560
WIL-UNI-de614146-5
0.560
ALP-POS-305f6ec3-14
0.560
MAT-POS-f2460aef-3
0.560
MAT-POS-f2460aef-5
0.560
BRU-THA-92256091-23
0.559
ALP-POS-e980f4ea-2
0.559
ALP-POS-e980f4ea-45
0.558
ALP-POS-b0bc6a46-23
0.557
ALP-POS-02c6a514-38
0.557
BRU-THA-92256091-15
0.555
ALP-POS-305f6ec3-2
0.555
WIL-UNI-de614146-4
0.555
ALP-POS-95f71980-6
0.555
ALP-POS-305f6ec3-20
0.554
BRU-THA-92256091-14
0.554
ALP-UNI-fe744232-30
0.553
MAT-POS-f2460aef-1
0.551
ALP-POS-02c6a514-26
0.551
BRU-THA-92256091-8
0.551
ALP-POS-95f71980-21
0.551
LON-WEI-2e27a2e5-1
0.551
MAT-POS-f2460aef-2
0.551
ALP-POS-02c6a514-22
0.550
ALP-UNI-fe744232-10
0.550
WIL-UNI-354943b6-10
0.550