Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2coc3ccccc23)cc1 |
MW: | 538.23 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.69 |
cLogP: | 7.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
MAT-POS-02ae579f-1
0.684
ALF-EVA-46063d6e-2
0.684
ALP-POS-a2344586-1
0.683
PAU-WEI-df8f33bc-1
0.676
ALP-POS-02c6a514-32
0.676
ALP-POS-02c6a514-44
0.657
PAU-WEI-df8f33bc-2
0.657
ALF-EVA-719172df-7
0.650
ALP-POS-02c6a514-9
0.648
ALP-POS-02c6a514-31
0.636
ALP-POS-02c6a514-13
0.632
ALP-POS-02c6a514-48
0.632
MIC-UNK-9ffaa625-1
0.630
MIC-UNK-7c90192e-2
0.618
MAT-POS-f2460aef-2
0.618
MAT-POS-f2460aef-1
0.618
LON-WEI-2e27a2e5-1
0.618
MIC-UNK-9ffaa625-2
0.613
CHE-UNK-ae827f53-1
0.609
MIC-UNK-7c90192e-1
0.607
ALP-POS-02c6a514-34
0.580
ALF-EVA-46063d6e-4
0.541
ALF-EVA-46063d6e-3
0.541
CHE-UNK-ae827f53-2
0.538
ALF-EVA-46063d6e-1
0.527
PET-UNK-48ab5cd7-6
0.522
DAR-DIA-48c639f7-1
0.518
ALF-EVA-46063d6e-6
0.518
ALF-EVA-719172df-4
0.513
ALP-POS-a2344586-2
0.513
ALP-POS-d9b6304e-1
0.513
ALF-EVA-719172df-3
0.509
ALP-POS-d0876c20-11
0.504
DAR-DIA-48c639f7-7
0.504
DAR-DIA-48c639f7-2
0.500
DAR-DIA-48c639f7-8
0.496
ALF-EVA-46063d6e-7
0.495
ALP-POS-02c6a514-37
0.495
ALP-POS-b0bc6a46-22
0.495
ALF-EVA-719172df-6
0.495
ALP-POS-a2344586-3
0.492
ALP-POS-d0876c20-20
0.492
ALP-POS-d0876c20-1
0.491
ALP-POS-02c6a514-12
0.491
ALP-POS-305f6ec3-49
0.491
ALP-POS-b0bc6a46-23
0.491
ALP-POS-02c6a514-38
0.491
ALP-POS-d0876c20-19
0.487
ALP-POS-d0876c20-7
0.487
ALP-POS-95f71980-21
0.486
DAR-DIA-48c639f7-4
0.483
DAR-DIA-48c639f7-6
0.483
ALP-POS-d0876c20-9
0.483
DAR-DIA-48c639f7-17
0.482
ALP-POS-d0876c20-17
0.482
ALP-POS-02c6a514-11
0.482
DAR-DIA-48c639f7-5
0.479
ALP-POS-d0876c20-18
0.479
ALP-POS-305f6ec3-19
0.479
ALP-POS-95f71980-4
0.478
ALP-POS-d0876c20-5
0.478
ALP-POS-02c6a514-39
0.478
ALP-POS-b0bc6a46-24
0.478
ALF-EVA-719172df-1
0.475
ALF-EVA-719172df-2
0.474
ALP-POS-305f6ec3-44
0.474
PET-UNK-48ab5cd7-3
0.474
ALP-POS-d0876c20-14
0.474
DAR-DIA-48c639f7-9
0.473
LON-WEI-2e27a2e5-2
0.473
MIC-UNK-96659df2-2
0.472
DAR-DIA-48c639f7-3
0.472
MIC-UNK-96659df2-3
0.471
ALP-POS-b0bc6a46-11
0.470
ALP-POS-02c6a514-18
0.470
ALP-POS-d0876c20-21
0.470
ALP-POS-b0bc6a46-12
0.470
ALP-POS-02c6a514-20
0.470
ALP-POS-02c6a514-50
0.470
ALP-POS-95f71980-25
0.470
MAT-POS-f2460aef-4
0.470
DAR-DIA-48c639f7-10
0.469
ALP-POS-02c6a514-5
0.466
ALP-POS-b0bc6a46-5
0.466
ALF-EVA-719172df-5
0.466
ALP-POS-02c6a514-40
0.466
PET-UNK-48ab5cd7-5
0.466
DAR-DIA-48c639f7-11
0.466
DAR-DIA-48c639f7-15
0.466
ALP-POS-d0876c20-10
0.466
ALP-POS-95f71980-6
0.466
ALP-POS-02c6a514-52
0.465
ALP-POS-305f6ec3-59
0.465
MIC-UNK-96659df2-1
0.465
LON-WEI-babf2c61-4
0.464
MIC-UNK-96659df2-4
0.464
ALP-POS-d0876c20-15
0.462
ALP-POS-305f6ec3-46
0.461
ALP-POS-02c6a514-22
0.461
ALP-POS-02c6a514-26
0.460