Molecular Properties | |
SMILES: | CCN(C(=O)c1ccco1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 395.16 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-b0bc6a46-2
0.762
ALP-POS-02c6a514-2
0.762
MIC-UNK-8686cf1d-9
0.727
KHR-WEI-75c61062-2
0.720
ALP-POS-02c6a514-8
0.681
ALP-POS-b0bc6a46-7
0.681
ALF-EVA-719172df-6
0.674
ALP-POS-02c6a514-38
0.667
ALP-POS-b0bc6a46-23
0.667
LON-WEI-2e27a2e5-1
0.659
MAT-POS-f2460aef-1
0.659
MAT-POS-f2460aef-2
0.659
ALP-POS-02c6a514-16
0.653
ALP-POS-b0bc6a46-10
0.653
ALP-POS-b0bc6a46-20
0.653
ALP-POS-02c6a514-35
0.653
ALP-POS-b0bc6a46-22
0.652
ALP-POS-02c6a514-37
0.652
ALP-POS-b0bc6a46-29
0.646
ALP-POS-02c6a514-58
0.646
ALP-POS-02c6a514-39
0.645
ALP-POS-b0bc6a46-24
0.645
PET-UNK-48ab5cd7-5
0.642
ALP-POS-b0bc6a46-1
0.640
ALP-POS-02c6a514-1
0.640
ALP-POS-b0bc6a46-12
0.632
ALP-POS-02c6a514-20
0.632
PAU-WEI-ca14c437-1
0.625
ALP-POS-02c6a514-30
0.621
ALP-POS-b0bc6a46-19
0.621
PET-UNK-48ab5cd7-4
0.615
ALP-POS-b0bc6a46-25
0.612
ALP-POS-b0bc6a46-9
0.612
ALP-POS-02c6a514-15
0.612
ALP-POS-b0bc6a46-11
0.612
ALP-POS-02c6a514-18
0.612
ALP-POS-02c6a514-41
0.612
ALP-POS-02c6a514-7
0.612
PAU-WEI-d9f77348-1
0.612
ALP-POS-b0bc6a46-6
0.612
PET-UNK-48ab5cd7-6
0.612
ALP-POS-02c6a514-24
0.610
ALP-POS-b0bc6a46-15
0.610
ALP-POS-b0bc6a46-8
0.608
ALP-POS-02c6a514-14
0.608
ALP-POS-b0bc6a46-5
0.606
ALP-POS-02c6a514-5
0.606
ALP-POS-02c6a514-4
0.600
ALP-POS-b0bc6a46-4
0.600
ALP-POS-02c6a514-29
0.598
ALP-POS-b0bc6a46-18
0.598
ALP-POS-e980f4ea-7
0.598
ALP-POS-ced8ea4d-7
0.596
MIC-UNK-8686cf1d-2
0.594
BRU-THA-92256091-11
0.591
ALP-POS-02c6a514-36
0.590
ALP-POS-b0bc6a46-21
0.590
MIC-UNK-8686cf1d-6
0.583
RYA-UNI-f4a878f6-1
0.576
ALP-POS-02c6a514-47
0.573
MIC-UNK-96659df2-7
0.573
ALP-POS-b0bc6a46-28
0.573
MIC-UNK-8686cf1d-3
0.573
ALP-POS-e980f4ea-64
0.562
ALP-POS-b0bc6a46-3
0.562
ALP-POS-02c6a514-3
0.562
MIC-UNK-8686cf1d-7
0.562
ALP-POS-02c6a514-12
0.561
ALP-POS-ced8ea4d-64
0.561
RYA-UNI-c3f66fb2-1
0.558
BRU-THA-92256091-7
0.557
MIC-UNK-8686cf1d-1
0.557
MIC-UNK-96659df2-6
0.556
ALP-POS-02c6a514-10
0.551
ALP-POS-02c6a514-21
0.550
ALP-POS-b0bc6a46-13
0.550
ALP-POS-b0bc6a46-17
0.546
ALP-POS-02c6a514-28
0.546
MIC-UNK-96659df2-8
0.546
MIC-UNK-8686cf1d-4
0.546
ALP-POS-95f71980-4
0.545
ALP-POS-305f6ec3-49
0.545
ALP-POS-b0bc6a46-16
0.545
ALP-POS-02c6a514-27
0.545
LON-WEI-2e27a2e5-2
0.542
MIC-UNK-8686cf1d-5
0.541
MIC-UNK-8686cf1d-8
0.541
ALP-POS-95f71980-21
0.541
ALP-POS-02c6a514-22
0.540
ALP-POS-02c6a514-11
0.536
PAU-WEI-5b8d5051-1
0.536
LON-POS-586a7c45-1
0.536
ALP-POS-e980f4ea-28
0.536
LON-WEI-adc59df6-47
0.536
ALP-POS-ced8ea4d-28
0.535
LON-WEI-babf2c61-10
0.535
ALP-POS-e980f4ea-41
0.535
ALP-POS-95f71980-25
0.535
ALP-POS-ced8ea4d-41
0.534
ALP-POS-b0bc6a46-26
0.532