Molecular Properties | |
SMILES: | COc1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1NC(=O)C1CCCCC1 |
MW: | 598.26 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 113.77 |
cLogP: | 6.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 62.7027513065601 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-23
1.000
ALP-POS-02c6a514-29
0.642
ALP-POS-b0bc6a46-18
0.642
ALP-POS-b0bc6a46-22
0.617
ALP-POS-02c6a514-37
0.617
ALP-POS-b0bc6a46-6
0.613
ALP-POS-02c6a514-7
0.613
ALP-POS-b0bc6a46-5
0.608
ALP-POS-02c6a514-5
0.608
ALP-POS-02c6a514-38
0.600
ALP-POS-b0bc6a46-23
0.600
ALF-EVA-719172df-6
0.591
ALP-POS-02c6a514-18
0.587
ALP-POS-b0bc6a46-11
0.587
ALP-POS-02c6a514-39
0.585
ALP-POS-b0bc6a46-24
0.585
PAU-WEI-ca14c437-1
0.583
LON-WEI-2e27a2e5-1
0.581
MAT-POS-f2460aef-1
0.581
MAT-POS-f2460aef-2
0.581
PAU-WEI-d9f77348-1
0.574
ALP-POS-02c6a514-41
0.574
ALP-POS-b0bc6a46-25
0.574
ALP-POS-02c6a514-14
0.570
PET-UNK-48ab5cd7-5
0.570
ALP-POS-b0bc6a46-8
0.570
MIC-UNK-8686cf1d-6
0.563
MIC-UNK-8686cf1d-2
0.560
ALP-POS-b0bc6a46-13
0.550
ALP-POS-02c6a514-21
0.550
PET-UNK-48ab5cd7-6
0.548
ALP-POS-02c6a514-43
0.544
ALP-POS-b0bc6a46-27
0.544
ALP-POS-02c6a514-20
0.537
ALP-POS-b0bc6a46-12
0.537
KHR-WEI-75c61062-2
0.535
MIC-UNK-96659df2-5
0.534
ALP-POS-02c6a514-27
0.533
ALP-POS-b0bc6a46-16
0.533
KHR-WEI-75c61062-1
0.530
ALP-POS-02c6a514-15
0.524
ALP-POS-b0bc6a46-9
0.524
PET-UNK-48ab5cd7-4
0.512
RYA-UNI-f4a878f6-1
0.504
RYA-UNI-c3f66fb2-1
0.504
ALP-POS-b0bc6a46-3
0.500
ALP-POS-02c6a514-28
0.500
ALP-POS-b0bc6a46-17
0.500
ALP-POS-02c6a514-3
0.500
MIC-UNK-96659df2-7
0.496
ALP-POS-02c6a514-4
0.492
ALP-POS-b0bc6a46-4
0.492
ALP-POS-02c6a514-2
0.492
ALP-POS-b0bc6a46-2
0.492
ALP-POS-02c6a514-24
0.489
ALP-POS-b0bc6a46-15
0.489
ALP-POS-780445ae-10
0.488
MIC-UNK-8686cf1d-9
0.488
MIC-UNK-96659df2-6
0.485
ALP-POS-02c6a514-47
0.485
ALP-POS-b0bc6a46-28
0.485
ALP-POS-02c6a514-16
0.485
ALP-POS-b0bc6a46-10
0.485
ALP-POS-02c6a514-40
0.485
MIC-UNK-96659df2-8
0.478
DAR-DIA-48c639f7-17
0.477
MIC-UNK-8686cf1d-3
0.474
ALP-POS-02c6a514-36
0.473
ALP-POS-b0bc6a46-21
0.473
BRU-THA-92256091-19
0.473
ALP-POS-02c6a514-12
0.472
ALP-POS-95f71980-4
0.472
ALP-POS-305f6ec3-49
0.472
ALP-POS-ced8ea4d-19
0.469
ALP-POS-e980f4ea-19
0.469
ALP-POS-95f71980-21
0.468
MIC-UNK-8686cf1d-4
0.467
MIC-UNK-8686cf1d-7
0.467
ALP-POS-02c6a514-8
0.466
ALP-POS-b0bc6a46-7
0.466
ALP-POS-02c6a514-25
0.465
MAT-POS-f2460aef-4
0.465
ALP-POS-ced8ea4d-50
0.464
MIC-UNK-8686cf1d-5
0.464
MIC-UNK-8686cf1d-8
0.464
BRU-THA-92256091-44
0.464
MIC-UNK-8686cf1d-1
0.463
ALP-POS-305f6ec3-7
0.463
ALP-POS-02c6a514-17
0.462
ALP-POS-305f6ec3-19
0.462
ALP-POS-95f71980-6
0.462
BRU-THA-92256091-83
0.460
ALP-POS-ced8ea4d-17
0.460
ALP-POS-e980f4ea-50
0.460
ALP-POS-b0bc6a46-29
0.459
ALP-POS-02c6a514-58
0.459
ALP-POS-305f6ec3-23
0.459
ALP-POS-ced8ea4d-63
0.459
BRU-THA-92256091-75
0.459
BRU-THA-92256091-18
0.458