Molecular Properties | |
SMILES: | Cn1nc(C(C(=O)NCCc2cccc(F)c2)N(C(=O)c2ccco2)c2ccc(C(C)(C)C)cc2)c2ccccc21 |
MW: | 552.25 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 80.37 |
cLogP: | 6.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-48
0.664
MAT-POS-02ae579f-1
0.650
ALP-POS-02c6a514-19
0.636
ALP-POS-02c6a514-9
0.618
ALP-POS-a2344586-1
0.607
MAT-POS-f2460aef-1
0.604
MAT-POS-f2460aef-2
0.604
ALF-EVA-46063d6e-2
0.604
LON-WEI-2e27a2e5-1
0.604
PAU-WEI-df8f33bc-1
0.602
ALP-POS-02c6a514-32
0.602
ALF-EVA-719172df-7
0.591
ALP-POS-02c6a514-34
0.583
PAU-WEI-df8f33bc-2
0.582
ALP-POS-02c6a514-44
0.582
ALP-POS-02c6a514-13
0.561
MIC-UNK-9ffaa625-1
0.547
CHE-UNK-ae827f53-1
0.542
MIC-UNK-7c90192e-2
0.538
MIC-UNK-9ffaa625-2
0.533
MIC-UNK-7c90192e-1
0.529
CHE-UNK-ae827f53-2
0.514
PET-UNK-48ab5cd7-6
0.513
ALP-POS-305f6ec3-49
0.496
ALF-EVA-719172df-6
0.487
ALP-POS-d0876c20-11
0.483
ALP-POS-d0876c20-10
0.483
ALP-POS-b0bc6a46-24
0.483
ALP-POS-95f71980-4
0.483
ALP-POS-02c6a514-12
0.483
ALP-POS-02c6a514-39
0.483
ALP-POS-b0bc6a46-23
0.482
ALP-POS-02c6a514-38
0.482
ALP-POS-a2344586-2
0.480
ALP-POS-d9b6304e-1
0.480
ALP-POS-d0876c20-15
0.479
ALF-EVA-46063d6e-3
0.479
ALP-POS-02c6a514-22
0.479
ALF-EVA-46063d6e-4
0.479
ALP-POS-305f6ec3-27
0.479
ALP-POS-305f6ec3-46
0.479
ALP-POS-95f71980-21
0.478
ALP-POS-d0876c20-16
0.475
ALP-POS-d0876c20-21
0.475
ALP-POS-305f6ec3-55
0.475
ALP-POS-02c6a514-37
0.474
ALP-POS-b0bc6a46-22
0.474
ALP-POS-d0876c20-17
0.474
ALP-POS-02c6a514-11
0.474
ALP-POS-d0876c20-23
0.472
ALP-POS-a2344586-3
0.472
ALP-POS-305f6ec3-19
0.471
ALF-EVA-46063d6e-6
0.471
ALP-POS-95f71980-18
0.471
ALP-POS-305f6ec3-56
0.471
ALP-POS-d0876c20-5
0.470
ALF-EVA-719172df-4
0.467
ALF-EVA-46063d6e-1
0.467
ALP-POS-d0876c20-14
0.466
PET-UNK-48ab5cd7-3
0.466
LON-WEI-2e27a2e5-2
0.465
ALP-POS-b0bc6a46-11
0.463
ALP-POS-02c6a514-18
0.463
MAT-POS-f2460aef-4
0.462
ALP-POS-02c6a514-50
0.462
ALP-POS-305f6ec3-48
0.462
ALP-POS-95f71980-25
0.462
ALP-POS-95f71980-17
0.462
ALP-POS-d0876c20-20
0.460
DAR-DIA-48c639f7-1
0.459
ALP-POS-d0876c20-3
0.459
PET-UNK-48ab5cd7-5
0.458
ALP-POS-95f71980-29
0.458
ALP-POS-95f71980-6
0.458
ALP-POS-95f71980-23
0.458
ALP-POS-305f6ec3-59
0.458
ALP-POS-02c6a514-52
0.458
ALP-POS-305f6ec3-24
0.457
ALP-POS-305f6ec3-12
0.455
ALP-POS-d0876c20-7
0.455
ALP-POS-305f6ec3-52
0.455
ALP-POS-305f6ec3-44
0.454
ALP-POS-305f6ec3-41
0.454
ALP-POS-02c6a514-26
0.453
ALP-POS-d0876c20-2
0.452
ALF-EVA-719172df-3
0.451
ALP-POS-305f6ec3-57
0.451
ALP-POS-305f6ec3-28
0.451
PET-UNK-48ab5cd7-1
0.450
PET-UNK-48ab5cd7-4
0.450
MAT-POS-f2460aef-3
0.450
ALP-POS-b0bc6a46-12
0.450
ALP-POS-02c6a514-20
0.450
ALP-POS-02c6a514-6
0.450
ALP-POS-305f6ec3-30
0.450
MIC-UNK-96659df2-6
0.450
ALP-POS-95f71980-2
0.449
LON-POS-586a7c45-1
0.448
PAU-WEI-5b8d5051-2
0.448
PAU-WEI-5b8d5051-1
0.448