Molecular Properties | |
SMILES: | CC(C)(C)c1cnc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)s1 |
MW: | 506.18 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.33 |
cLogP: | 5.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.94023777003746 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-20
1.000
LON-WEI-2e27a2e5-1
0.708
MAT-POS-f2460aef-1
0.708
MAT-POS-f2460aef-2
0.708
PET-UNK-48ab5cd7-4
0.697
ALF-EVA-719172df-6
0.653
ALP-POS-02c6a514-38
0.646
ALP-POS-b0bc6a46-23
0.646
ALP-POS-02c6a514-18
0.644
ALP-POS-b0bc6a46-11
0.644
PET-UNK-48ab5cd7-6
0.644
ALP-POS-02c6a514-3
0.639
ALP-POS-b0bc6a46-3
0.639
MIC-UNK-96659df2-7
0.636
ALP-POS-02c6a514-37
0.634
ALP-POS-b0bc6a46-22
0.634
KHR-WEI-75c61062-1
0.632
PAU-WEI-d9f77348-1
0.629
ALP-POS-b0bc6a46-24
0.627
ALP-POS-02c6a514-39
0.627
PAU-WEI-ca14c437-1
0.625
KHR-WEI-75c61062-2
0.621
ALP-POS-02c6a514-7
0.613
ALP-POS-b0bc6a46-6
0.613
PET-UNK-48ab5cd7-5
0.610
ALP-POS-b0bc6a46-8
0.610
ALP-POS-02c6a514-14
0.610
MIC-UNK-96659df2-8
0.607
MIC-UNK-96659df2-6
0.602
ALP-POS-02c6a514-29
0.600
ALP-POS-b0bc6a46-18
0.600
ALP-POS-b0bc6a46-25
0.598
ALP-POS-02c6a514-41
0.598
MIC-UNK-8686cf1d-2
0.596
ALP-POS-02c6a514-12
0.596
ALP-POS-02c6a514-2
0.594
ALP-POS-b0bc6a46-2
0.594
ALP-POS-02c6a514-5
0.593
ALP-POS-b0bc6a46-5
0.593
MIC-UNK-96659df2-5
0.591
MIC-UNK-8686cf1d-9
0.587
MIC-UNK-8686cf1d-6
0.586
ALP-POS-b0bc6a46-7
0.583
ALP-POS-02c6a514-8
0.583
ALP-POS-95f71980-4
0.581
ALP-POS-305f6ec3-49
0.581
ALP-POS-95f71980-21
0.577
LON-WEI-adc59df6-47
0.573
PAU-WEI-5b8d5051-1
0.573
LON-POS-586a7c45-1
0.573
ALP-POS-b0bc6a46-13
0.569
ALP-POS-02c6a514-21
0.569
ALP-POS-95f71980-6
0.565
ALP-POS-95f71980-23
0.565
RYA-UNI-f4a878f6-1
0.564
ALP-POS-305f6ec3-19
0.564
LON-WEI-2e27a2e5-2
0.563
PET-UNK-48ab5cd7-3
0.561
ALF-EVA-46063d6e-1
0.560
ALP-POS-305f6ec3-4
0.559
PAU-WEI-5b8d5051-2
0.558
ALP-POS-02c6a514-11
0.558
ALP-POS-95f71980-2
0.557
ALP-POS-95f71980-17
0.557
LON-WEI-babf2c61-10
0.557
PAU-WEI-df8f33bc-2
0.556
ALP-POS-95f71980-7
0.556
MAT-POS-f2460aef-4
0.556
ALP-POS-02c6a514-44
0.556
ALP-POS-02c6a514-49
0.556
ALP-POS-02c6a514-50
0.556
ALP-POS-02c6a514-28
0.552
ALP-POS-b0bc6a46-17
0.552
ALP-POS-305f6ec3-2
0.550
ALP-POS-95f71980-29
0.550
ALP-POS-b0bc6a46-21
0.550
ALP-POS-02c6a514-36
0.550
RYA-UNI-c3f66fb2-1
0.548
ALP-POS-02c6a514-26
0.547
PET-UNK-7d68125a-4
0.547
ALP-POS-305f6ec3-44
0.546
ALP-POS-305f6ec3-41
0.546
ALP-POS-02c6a514-22
0.546
ALP-POS-305f6ec3-46
0.546
ALP-POS-305f6ec3-27
0.546
PET-UNK-48ab5cd7-2
0.546
ALP-POS-95f71980-14
0.545
ALP-POS-305f6ec3-3
0.545
ALP-POS-95f71980-36
0.545
ALP-POS-b0bc6a46-29
0.544
ALP-POS-02c6a514-58
0.544
MAT-POS-02ae579f-1
0.544
PET-UNK-7d68125a-2
0.542
PET-UNK-7d68125a-3
0.542
ALP-POS-95f71980-25
0.541
ALP-POS-02c6a514-46
0.541
MAT-POS-f2460aef-3
0.541
ALP-POS-95f71980-24
0.541
ALP-POS-02c6a514-6
0.541
ALP-POS-305f6ec3-55
0.541