Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1cc(C(F)(F)F)cs1)C(=O)c1ccco1 |
MW: | 531.12 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 5.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
high halogen content (>3)
Long aliphatic chain
ALP-POS-02c6a514-8
1.000
ALP-POS-b0bc6a46-2
0.708
ALP-POS-02c6a514-2
0.708
KHR-WEI-75c61062-1
0.681
ALP-POS-02c6a514-16
0.618
ALP-POS-b0bc6a46-10
0.618
ALP-POS-b0bc6a46-20
0.618
ALP-POS-02c6a514-35
0.618
MIC-UNK-8686cf1d-9
0.615
KHR-WEI-75c61062-2
0.602
ALP-POS-02c6a514-30
0.591
ALP-POS-b0bc6a46-19
0.591
ALP-POS-b0bc6a46-12
0.583
ALP-POS-02c6a514-20
0.583
LON-WEI-2e27a2e5-1
0.575
MAT-POS-f2460aef-2
0.575
MAT-POS-f2460aef-1
0.575
ALP-POS-b0bc6a46-29
0.570
ALP-POS-02c6a514-58
0.570
ALF-EVA-719172df-6
0.557
PET-UNK-48ab5cd7-4
0.555
ALP-POS-b0bc6a46-11
0.554
ALP-POS-02c6a514-18
0.554
ALP-POS-e980f4ea-7
0.552
ALP-POS-02c6a514-1
0.552
ALP-POS-b0bc6a46-1
0.552
ALP-POS-02c6a514-38
0.551
ALP-POS-b0bc6a46-23
0.551
ALP-POS-b0bc6a46-21
0.549
ALP-POS-02c6a514-36
0.549
ALP-POS-b0bc6a46-22
0.541
ALP-POS-02c6a514-37
0.541
PET-UNK-48ab5cd7-6
0.540
ALP-POS-e980f4ea-64
0.537
LON-WEI-babf2c61-9
0.537
ALP-POS-ced8ea4d-7
0.537
ALP-POS-02c6a514-39
0.536
ALP-POS-b0bc6a46-24
0.536
ALP-POS-02c6a514-43
0.536
ALP-POS-b0bc6a46-27
0.536
MIC-UNK-96659df2-7
0.534
BRU-THA-92256091-11
0.533
ALP-POS-02c6a514-15
0.526
ALP-POS-b0bc6a46-9
0.526
PAU-WEI-d9f77348-1
0.526
ALP-POS-02c6a514-3
0.525
MIC-UNK-8686cf1d-7
0.525
ALP-POS-b0bc6a46-3
0.525
ALP-POS-ced8ea4d-64
0.523
PAU-WEI-ca14c437-1
0.522
PET-UNK-48ab5cd7-5
0.522
ALP-POS-02c6a514-14
0.522
ALP-POS-b0bc6a46-8
0.522
MIC-UNK-8686cf1d-3
0.521
ALP-POS-b0bc6a46-28
0.521
ALP-POS-02c6a514-47
0.521
BRU-THA-92256091-7
0.518
ALP-POS-b0bc6a46-4
0.517
ALP-POS-02c6a514-4
0.517
ALP-POS-e980f4ea-41
0.513
ALP-POS-b0bc6a46-6
0.513
ALP-POS-02c6a514-7
0.513
ALP-POS-b0bc6a46-25
0.513
ALP-POS-02c6a514-41
0.513
ALP-POS-02c6a514-5
0.509
ALP-POS-b0bc6a46-5
0.509
MIC-UNK-8686cf1d-1
0.508
ALP-POS-02c6a514-29
0.504
ALP-POS-b0bc6a46-18
0.504
PAU-WEI-5b8d5051-1
0.500
ALP-POS-b0bc6a46-15
0.500
LON-WEI-adc59df6-47
0.500
MIC-UNK-8686cf1d-2
0.500
MIC-UNK-8686cf1d-4
0.500
ALP-POS-02c6a514-24
0.500
ALP-POS-ced8ea4d-41
0.500
MIC-UNK-96659df2-8
0.500
LON-POS-586a7c45-1
0.500
MIC-UNK-8686cf1d-8
0.496
MIC-UNK-8686cf1d-5
0.496
MIC-UNK-96659df2-6
0.496
ALP-POS-305f6ec3-19
0.496
ALP-POS-02c6a514-12
0.496
MIC-UNK-8686cf1d-6
0.492
ALP-POS-e980f4ea-40
0.492
BRU-THA-92256091-27
0.491
PET-UNK-48ab5cd7-3
0.491
MIC-UNK-96659df2-5
0.488
ALP-POS-b0bc6a46-26
0.488
ALP-POS-02c6a514-42
0.488
ALP-POS-e980f4ea-48
0.488
ALP-POS-e980f4ea-46
0.483
ALP-POS-95f71980-23
0.483
ALP-POS-95f71980-29
0.483
ALP-POS-305f6ec3-49
0.482
ALP-POS-95f71980-4
0.482
ALP-POS-b0bc6a46-13
0.480
ALP-POS-02c6a514-21
0.480
ALP-POS-02c6a514-10
0.480
ALP-POS-ced8ea4d-40
0.479