Molecular Properties | |
SMILES: | CSc1ccc(CN(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1C#N |
MW: | 528.16 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 99.23 |
cLogP: | 5.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 54.89068116021 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-35
1.000
ALP-POS-b0bc6a46-2
0.697
ALP-POS-02c6a514-2
0.697
KHR-WEI-75c61062-1
0.653
ALP-POS-b0bc6a46-7
0.618
ALP-POS-02c6a514-8
0.618
MIC-UNK-8686cf1d-9
0.607
ALP-POS-02c6a514-30
0.598
ALP-POS-b0bc6a46-19
0.598
ALP-POS-02c6a514-16
0.596
ALP-POS-b0bc6a46-10
0.596
KHR-WEI-75c61062-2
0.578
ALP-POS-b0bc6a46-24
0.573
ALP-POS-02c6a514-39
0.573
ALP-POS-02c6a514-58
0.551
ALP-POS-b0bc6a46-29
0.551
ALP-POS-02c6a514-1
0.546
ALP-POS-b0bc6a46-1
0.546
ALP-POS-02c6a514-38
0.545
ALP-POS-b0bc6a46-23
0.545
ALF-EVA-719172df-6
0.536
PET-UNK-48ab5cd7-6
0.534
MAT-POS-f2460aef-1
0.527
LON-WEI-2e27a2e5-1
0.527
MAT-POS-f2460aef-2
0.527
ALP-POS-b0bc6a46-22
0.522
ALP-POS-02c6a514-37
0.522
PET-UNK-48ab5cd7-4
0.522
ALP-POS-02c6a514-20
0.522
ALP-POS-b0bc6a46-12
0.522
ALP-POS-b0bc6a46-27
0.519
ALP-POS-02c6a514-43
0.519
ALP-POS-e980f4ea-7
0.518
ALP-POS-ced8ea4d-7
0.518
PAU-WEI-ca14c437-1
0.517
BRU-THA-92256091-11
0.514
PAU-WEI-d9f77348-1
0.508
ALP-POS-02c6a514-15
0.508
ALP-POS-b0bc6a46-9
0.508
ALP-POS-e980f4ea-64
0.504
ALP-POS-ced8ea4d-64
0.504
ALP-POS-02c6a514-14
0.504
PET-UNK-48ab5cd7-5
0.504
ALP-POS-b0bc6a46-8
0.504
ALP-POS-b0bc6a46-18
0.500
BRU-THA-92256091-7
0.500
ALP-POS-02c6a514-29
0.500
ALP-POS-02c6a514-24
0.496
ALP-POS-b0bc6a46-15
0.496
ALP-POS-02c6a514-7
0.496
ALP-POS-02c6a514-18
0.496
ALP-POS-02c6a514-41
0.496
ALP-POS-b0bc6a46-6
0.496
ALP-POS-b0bc6a46-11
0.496
ALP-POS-b0bc6a46-25
0.496
MIC-UNK-96659df2-7
0.492
ALP-POS-02c6a514-47
0.492
ALP-POS-b0bc6a46-28
0.492
ALP-POS-02c6a514-5
0.492
ALP-POS-b0bc6a46-5
0.492
ALP-POS-b0bc6a46-21
0.492
ALP-POS-02c6a514-36
0.492
MIC-UNK-8686cf1d-6
0.488
ALP-POS-02c6a514-4
0.488
ALP-POS-b0bc6a46-4
0.488
ALP-POS-b0bc6a46-17
0.484
ALP-POS-02c6a514-28
0.484
MIC-UNK-8686cf1d-7
0.484
MIC-UNK-8686cf1d-2
0.484
ALP-POS-ced8ea4d-41
0.483
ALP-POS-e980f4ea-41
0.483
MIC-UNK-8686cf1d-5
0.480
ALP-POS-ced8ea4d-46
0.480
ALP-POS-e980f4ea-46
0.480
MIC-UNK-8686cf1d-3
0.480
ALP-POS-b0bc6a46-13
0.477
ALP-POS-02c6a514-21
0.477
ALP-POS-ced8ea4d-40
0.476
ALP-POS-e980f4ea-40
0.475
BRU-THA-92256091-27
0.475
PET-UNK-7d68125a-4
0.474
RYA-UNI-f4a878f6-1
0.473
MIC-UNK-96659df2-8
0.472
BRU-THA-92256091-41
0.472
ALP-POS-b0bc6a46-3
0.472
ALP-POS-02c6a514-3
0.472
PET-UNK-7d68125a-3
0.470
MIC-UNK-96659df2-6
0.469
MIC-UNK-8686cf1d-8
0.469
MIC-UNK-8686cf1d-1
0.468
BRU-THA-92256091-28
0.468
ALP-POS-02c6a514-33
0.467
ALP-POS-02c6a514-10
0.465
ALP-POS-780445ae-6
0.463
ALP-POS-b0bc6a46-16
0.462
ALP-POS-02c6a514-27
0.462
MIC-UNK-96659df2-5
0.462
ALP-POS-ced8ea4d-48
0.461
MIC-UNK-8686cf1d-4
0.461
ALP-POS-e980f4ea-48
0.460