Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2ccccc2)cc1 |
MW: | 498.23 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 62.55 |
cLogP: | 6.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-569-544 |
Activity Data | |
IC50 (µM) - RapidFire: | 99.0 |
Order Status | |
Shipped: | 2020-07-29 |
Long aliphatic chain
LON-WEI-2e27a2e5-1
0.761
MAT-POS-f2460aef-1
0.761
MAT-POS-f2460aef-2
0.761
ALF-EVA-46063d6e-2
0.703
ALP-POS-02c6a514-19
0.684
PAU-WEI-df8f33bc-2
0.674
ALP-POS-02c6a514-44
0.674
ALF-EVA-719172df-7
0.667
ALP-POS-02c6a514-9
0.663
ALP-POS-02c6a514-13
0.663
ALP-POS-02c6a514-32
0.660
PAU-WEI-df8f33bc-1
0.660
ALP-POS-a2344586-1
0.650
ALP-POS-02c6a514-31
0.650
ALP-POS-02c6a514-48
0.646
ALP-POS-02c6a514-34
0.637
PET-UNK-48ab5cd7-6
0.636
MIC-UNK-9ffaa625-1
0.627
CHE-UNK-ae827f53-1
0.621
MIC-UNK-7c90192e-2
0.615
ALF-EVA-719172df-6
0.611
ALP-POS-02c6a514-11
0.611
MIC-UNK-9ffaa625-2
0.610
ALP-POS-02c6a514-38
0.604
ALP-POS-b0bc6a46-23
0.604
MIC-UNK-7c90192e-1
0.604
ALP-POS-305f6ec3-49
0.602
ALP-POS-95f71980-21
0.598
CHE-UNK-ae827f53-2
0.594
ALP-POS-02c6a514-37
0.592
ALP-POS-b0bc6a46-22
0.592
ALP-POS-b0bc6a46-24
0.586
ALP-POS-02c6a514-39
0.586
ALP-POS-02c6a514-12
0.586
ALP-POS-95f71980-6
0.584
MAT-POS-f2460aef-4
0.574
ALP-POS-95f71980-4
0.570
PET-UNK-48ab5cd7-5
0.569
ALP-POS-95f71980-18
0.567
DAR-DIA-48c639f7-1
0.567
LON-WEI-2e27a2e5-2
0.567
PET-UNK-48ab5cd7-3
0.564
ALP-POS-b0bc6a46-5
0.552
ALP-POS-02c6a514-5
0.552
ALP-POS-02c6a514-26
0.550
ALP-POS-305f6ec3-44
0.549
ALF-EVA-46063d6e-4
0.549
ALF-EVA-46063d6e-3
0.548
ALP-POS-305f6ec3-4
0.547
LON-POS-586a7c45-1
0.545
LON-WEI-adc59df6-47
0.545
PAU-WEI-5b8d5051-1
0.545
ALP-POS-95f71980-2
0.545
ALP-POS-95f71980-17
0.545
ALP-POS-d0876c20-17
0.545
ALP-POS-02c6a514-6
0.544
ALP-POS-02c6a514-50
0.544
PET-UNK-48ab5cd7-4
0.544
ALP-POS-02c6a514-20
0.544
ALP-POS-b0bc6a46-12
0.544
ALP-POS-95f71980-25
0.544
ALP-POS-02c6a514-18
0.543
ALP-POS-b0bc6a46-11
0.543
ALP-POS-305f6ec3-59
0.539
ALP-POS-02c6a514-52
0.539
ALP-POS-d0876c20-5
0.539
ALP-POS-95f71980-23
0.538
ALP-POS-95f71980-29
0.538
ALP-POS-305f6ec3-19
0.538
ALP-POS-305f6ec3-20
0.538
ALP-POS-02c6a514-40
0.538
ALP-POS-305f6ec3-41
0.534
PET-UNK-48ab5cd7-2
0.534
ALP-POS-02c6a514-22
0.534
ALP-POS-305f6ec3-27
0.534
ALP-POS-d0876c20-14
0.534
ALP-POS-305f6ec3-46
0.534
ALP-POS-305f6ec3-38
0.533
ALF-EVA-46063d6e-1
0.533
LON-WEI-babf2c61-2
0.530
PAU-WEI-5b8d5051-2
0.530
ALP-POS-95f71980-22
0.529
ALP-POS-305f6ec3-6
0.529
ALP-POS-305f6ec3-48
0.529
ALP-POS-95f71980-24
0.529
MAT-POS-f2460aef-3
0.529
MAT-POS-f2460aef-5
0.529
ALP-POS-02c6a514-25
0.529
ALP-POS-02c6a514-46
0.529
ALP-POS-02c6a514-49
0.529
ALP-POS-305f6ec3-14
0.529
ALP-POS-305f6ec3-55
0.529
PET-UNK-48ab5cd7-1
0.529
ALP-POS-95f71980-7
0.529
ALP-POS-02c6a514-57
0.526
LON-WEI-babf2c61-4
0.525
ALP-POS-305f6ec3-2
0.524
PAU-WEI-ca14c437-1
0.524
ALP-POS-02c6a514-33
0.524
ALP-POS-305f6ec3-56
0.524