Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2n[nH]c3ccccc23)cc1 |
MW: | 538.24 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 91.23 |
cLogP: | 6.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-a2344586-1
0.679
ALP-POS-02c6a514-31
0.664
MAT-POS-02ae579f-1
0.646
ALP-POS-02c6a514-9
0.645
ALP-POS-02c6a514-19
0.632
MAT-POS-f2460aef-2
0.615
ALF-EVA-46063d6e-2
0.615
LON-WEI-2e27a2e5-1
0.615
MAT-POS-f2460aef-1
0.615
ALP-POS-02c6a514-32
0.613
PAU-WEI-df8f33bc-1
0.613
PAU-WEI-df8f33bc-2
0.593
ALP-POS-02c6a514-44
0.593
ALF-EVA-719172df-7
0.587
ALP-POS-02c6a514-13
0.586
CHE-UNK-ae827f53-1
0.565
ALP-POS-02c6a514-34
0.565
MIC-UNK-7c90192e-2
0.560
MIC-UNK-9ffaa625-1
0.557
MIC-UNK-9ffaa625-2
0.542
MIC-UNK-7c90192e-1
0.538
PET-UNK-48ab5cd7-6
0.535
ALP-POS-a2344586-2
0.525
ALP-POS-d9b6304e-1
0.525
CHE-UNK-ae827f53-2
0.523
ALP-POS-a2344586-3
0.517
ALP-POS-305f6ec3-49
0.504
ALP-POS-305f6ec3-28
0.496
ALP-POS-d0876c20-17
0.496
ALF-EVA-719172df-6
0.495
ALP-POS-305f6ec3-20
0.492
ALP-POS-b0bc6a46-24
0.491
ALP-POS-02c6a514-12
0.491
ALP-POS-02c6a514-39
0.491
ALP-POS-b0bc6a46-23
0.491
ALP-POS-02c6a514-38
0.491
ALP-POS-d0876c20-7
0.487
ALP-POS-305f6ec3-35
0.487
ALF-EVA-46063d6e-3
0.487
ALF-EVA-46063d6e-4
0.487
ALP-POS-95f71980-21
0.487
ALP-POS-d0876c20-9
0.483
MAT-POS-f2460aef-4
0.483
ALP-POS-b0bc6a46-22
0.482
ALP-POS-95f71980-17
0.482
LON-WEI-babf2c61-1
0.482
ALP-POS-02c6a514-37
0.482
ALP-POS-02c6a514-11
0.482
ALF-EVA-46063d6e-6
0.479
ALP-POS-95f71980-6
0.479
ALP-POS-02c6a514-52
0.478
ALP-POS-95f71980-4
0.478
ALP-POS-305f6ec3-59
0.478
ALP-POS-d0876c20-15
0.475
ALF-EVA-46063d6e-1
0.475
ALP-POS-305f6ec3-52
0.475
ALP-POS-305f6ec3-38
0.475
ALP-POS-305f6ec3-39
0.475
ALP-POS-d0876c20-14
0.474
PET-UNK-48ab5cd7-2
0.474
PET-UNK-48ab5cd7-3
0.474
LON-WEI-2e27a2e5-2
0.473
DAR-DIA-48c639f7-6
0.472
ALP-POS-305f6ec3-45
0.472
ALP-POS-d0876c20-2
0.471
PET-UNK-48ab5cd7-1
0.470
ALP-POS-02c6a514-6
0.470
ALP-POS-305f6ec3-14
0.470
ALP-POS-305f6ec3-6
0.470
ALP-POS-95f71980-22
0.470
LON-WEI-babf2c61-2
0.469
ALP-POS-02c6a514-40
0.467
DAR-DIA-48c639f7-1
0.467
ALP-POS-d0876c20-11
0.467
ALP-POS-305f6ec3-19
0.467
ALP-POS-95f71980-18
0.467
ALP-POS-305f6ec3-2
0.466
PET-UNK-48ab5cd7-5
0.466
ALP-POS-d0876c20-5
0.466
LON-WEI-babf2c61-4
0.465
DAR-DIA-48c639f7-2
0.463
ALF-EVA-719172df-4
0.462
ALP-POS-305f6ec3-27
0.462
ALP-POS-305f6ec3-44
0.462
ALP-POS-02c6a514-26
0.461
ALP-POS-305f6ec3-51
0.459
DAR-DIA-48c639f7-8
0.459
ALP-POS-02c6a514-18
0.458
ALP-POS-305f6ec3-33
0.458
ALF-EVA-719172df-3
0.458
ALP-POS-d0876c20-16
0.458
ALP-POS-305f6ec3-57
0.458
ALP-POS-b0bc6a46-11
0.458
ALP-POS-305f6ec3-48
0.458
ALP-POS-02c6a514-46
0.458
ALP-POS-02c6a514-50
0.458
ALP-POS-95f71980-24
0.458
PET-UNK-48ab5cd7-4
0.458
MAT-POS-f2460aef-3
0.458
MAT-POS-f2460aef-5
0.458