Molecular Properties | |
SMILES: | CC1CC(CCN(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)CC(C)(C)C1 |
MW: | 519.29 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 75.44 |
cLogP: | 6.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-b0bc6a46-1
1.000
MIC-UNK-8686cf1d-9
0.642
KHR-WEI-75c61062-1
0.640
ALP-POS-02c6a514-2
0.604
ALP-POS-b0bc6a46-2
0.604
KHR-WEI-75c61062-2
0.583
ALP-POS-02c6a514-16
0.559
ALP-POS-b0bc6a46-10
0.559
ALP-POS-02c6a514-8
0.552
ALP-POS-b0bc6a46-7
0.552
ALP-POS-02c6a514-24
0.551
ALP-POS-b0bc6a46-15
0.551
ALP-POS-02c6a514-35
0.546
ALP-POS-b0bc6a46-20
0.546
ALP-POS-02c6a514-15
0.538
ALP-POS-b0bc6a46-9
0.538
PET-UNK-48ab5cd7-5
0.534
MAT-POS-f2460aef-2
0.531
MAT-POS-f2460aef-1
0.531
LON-WEI-2e27a2e5-1
0.531
ALP-POS-b0bc6a46-4
0.529
ALP-POS-02c6a514-4
0.529
ALP-POS-b0bc6a46-29
0.529
ALP-POS-02c6a514-58
0.529
ALF-EVA-719172df-6
0.527
ALP-POS-02c6a514-30
0.524
ALP-POS-b0bc6a46-19
0.524
ALP-POS-b0bc6a46-23
0.522
ALP-POS-02c6a514-38
0.522
ALP-POS-b0bc6a46-21
0.521
ALP-POS-02c6a514-36
0.521
ALP-POS-b0bc6a46-22
0.513
ALP-POS-02c6a514-37
0.513
ALP-POS-02c6a514-20
0.513
ALP-POS-b0bc6a46-12
0.513
PET-UNK-48ab5cd7-4
0.513
ALP-POS-b0bc6a46-6
0.513
ALP-POS-02c6a514-7
0.513
ALP-POS-02c6a514-39
0.509
ALP-POS-b0bc6a46-24
0.509
ALP-POS-02c6a514-5
0.508
ALP-POS-b0bc6a46-5
0.508
ALP-POS-b0bc6a46-11
0.500
ALP-POS-02c6a514-18
0.500
PET-UNK-48ab5cd7-6
0.500
MIC-UNK-96659df2-7
0.496
ALP-POS-02c6a514-47
0.496
ALP-POS-b0bc6a46-28
0.496
MIC-UNK-8686cf1d-3
0.496
PAU-WEI-ca14c437-1
0.496
ALP-POS-b0bc6a46-8
0.496
ALP-POS-02c6a514-14
0.496
ALP-POS-02c6a514-10
0.492
MIC-UNK-96659df2-5
0.488
MIC-UNK-8686cf1d-4
0.488
MIC-UNK-8686cf1d-7
0.488
PAU-WEI-d9f77348-1
0.488
ALP-POS-02c6a514-41
0.488
ALP-POS-b0bc6a46-25
0.488
MIC-UNK-8686cf1d-8
0.484
MIC-UNK-8686cf1d-1
0.484
ALP-POS-02c6a514-21
0.481
ALP-POS-b0bc6a46-13
0.481
ALP-POS-02c6a514-29
0.480
ALP-POS-b0bc6a46-18
0.480
ALP-POS-b0bc6a46-26
0.477
ALP-POS-02c6a514-42
0.477
MIC-UNK-96659df2-8
0.477
MIC-UNK-8686cf1d-2
0.476
MIC-UNK-8686cf1d-5
0.473
ALP-POS-ced8ea4d-7
0.470
ALP-POS-e980f4ea-7
0.470
MIC-UNK-8686cf1d-6
0.468
ALP-POS-b0bc6a46-16
0.466
ALP-POS-02c6a514-27
0.466
BRU-THA-92256091-11
0.466
ALP-POS-b0bc6a46-3
0.465
ALP-POS-02c6a514-3
0.465
PAU-WEI-5b8d5051-1
0.462
LON-WEI-adc59df6-47
0.462
MIC-UNK-96659df2-6
0.462
LON-POS-586a7c45-1
0.462
ALP-POS-ced8ea4d-64
0.458
ALP-POS-95f71980-4
0.458
ALP-POS-02c6a514-12
0.458
ALP-POS-305f6ec3-49
0.458
LON-WEI-babf2c61-9
0.458
ALP-POS-e980f4ea-64
0.458
ALP-POS-b0bc6a46-14
0.456
ALP-POS-02c6a514-23
0.456
ALP-POS-305f6ec3-38
0.455
ALP-POS-02c6a514-28
0.454
ALP-POS-b0bc6a46-17
0.454
BRU-THA-92256091-7
0.454
LON-WEI-2e27a2e5-2
0.453
RYA-UNI-f4a878f6-1
0.452
ALP-POS-780445ae-10
0.452
LON-WEI-babf2c61-10
0.450
PAU-WEI-5b8d5051-2
0.449
ALP-POS-02c6a514-11
0.449