Molecular Properties | |
SMILES: | CC(=O)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 485.18 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 92.51 |
cLogP: | 4.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 56.2819512358489 |
Order Status | |
Shipped: | 2020-10-22 |
Ketone
Long aliphatic chain
ALP-POS-b0bc6a46-23
1.000
ALF-EVA-719172df-6
0.826
MAT-POS-f2460aef-1
0.807
MAT-POS-f2460aef-2
0.807
LON-WEI-2e27a2e5-1
0.807
ALP-POS-b0bc6a46-22
0.798
ALP-POS-02c6a514-37
0.798
ALP-POS-b0bc6a46-24
0.789
ALP-POS-02c6a514-39
0.789
PET-UNK-48ab5cd7-5
0.763
PET-UNK-48ab5cd7-6
0.747
ALP-POS-02c6a514-5
0.740
ALP-POS-b0bc6a46-5
0.740
RYA-UNI-c3f66fb2-1
0.696
ALP-POS-02c6a514-7
0.694
ALP-POS-b0bc6a46-6
0.694
ALP-POS-02c6a514-18
0.694
ALP-POS-b0bc6a46-11
0.694
PAU-WEI-ca14c437-1
0.691
PAU-WEI-d9f77348-1
0.677
ALP-POS-780445ae-10
0.677
MIC-UNK-8686cf1d-2
0.673
KHR-WEI-75c61062-1
0.667
ALP-POS-02c6a514-27
0.661
ALP-POS-b0bc6a46-16
0.661
ALP-POS-b0bc6a46-18
0.660
MIC-UNK-8686cf1d-6
0.660
ALP-POS-02c6a514-29
0.660
KHR-WEI-75c61062-2
0.656
ALP-POS-02c6a514-20
0.646
ALP-POS-b0bc6a46-12
0.646
PET-UNK-48ab5cd7-4
0.646
RYA-UNI-f4a878f6-1
0.645
ALP-POS-305f6ec3-49
0.643
ALP-POS-b0bc6a46-8
0.640
ALP-POS-02c6a514-14
0.640
ALP-POS-95f71980-21
0.639
ALP-POS-02c6a514-41
0.627
ALP-POS-b0bc6a46-25
0.627
ALP-POS-02c6a514-12
0.626
ALP-POS-02c6a514-2
0.625
ALP-POS-b0bc6a46-2
0.625
LON-WEI-2e27a2e5-2
0.625
ALP-POS-02c6a514-11
0.619
MAT-POS-f2460aef-4
0.614
ALP-POS-95f71980-4
0.610
ALP-POS-02c6a514-21
0.609
ALP-POS-b0bc6a46-13
0.609
ALP-POS-02c6a514-33
0.608
ALP-POS-95f71980-6
0.608
ALP-POS-02c6a514-26
0.606
MAT-POS-02ae579f-1
0.604
MIC-UNK-96659df2-7
0.604
ALP-POS-02c6a514-43
0.600
ALP-POS-02c6a514-23
0.600
ALP-POS-b0bc6a46-14
0.600
ALP-UNI-fe744232-9
0.600
MIC-UNK-8686cf1d-9
0.600
ALP-POS-b0bc6a46-27
0.600
ALP-POS-02c6a514-6
0.598
ALP-POS-02c6a514-25
0.598
ALP-POS-b0bc6a46-3
0.593
ALP-POS-02c6a514-3
0.593
ALP-POS-ced8ea4d-9
0.592
WIL-UNI-354943b6-3
0.590
ALP-POS-305f6ec3-19
0.590
ALP-POS-95f71980-18
0.590
ALP-POS-e980f4ea-27
0.590
ALP-UNI-fe744232-15
0.589
ALP-POS-ced8ea4d-27
0.588
ALP-POS-305f6ec3-44
0.588
PET-UNK-48ab5cd7-2
0.588
PET-UNK-48ab5cd7-3
0.588
ALP-POS-e980f4ea-9
0.588
PAU-WEI-5b8d5051-2
0.586
LON-WEI-adc59df6-47
0.586
LON-POS-586a7c45-1
0.586
PAU-WEI-5b8d5051-1
0.586
MIC-UNK-96659df2-6
0.586
ALP-POS-305f6ec3-4
0.585
ALP-POS-95f71980-17
0.584
ALP-POS-95f71980-2
0.584
ALP-UNI-fe744232-17
0.583
MAT-POS-f2460aef-5
0.583
PAU-WEI-df8f33bc-2
0.583
ALP-POS-02c6a514-44
0.583
ALP-POS-02c6a514-50
0.583
ALP-POS-305f6ec3-55
0.583
PET-UNK-48ab5cd7-1
0.583
ALP-POS-95f71980-25
0.583
ALP-POS-ced8ea4d-67
0.581
LON-WEI-babf2c61-9
0.580
WIL-UNI-354943b6-8
0.579
ALP-POS-02c6a514-52
0.578
ALP-POS-305f6ec3-59
0.578
ALP-POS-1245c3fa-1
0.578
BRU-THA-92256091-24
0.578
ALP-POS-e980f4ea-67
0.577
ALP-POS-95f71980-23
0.577
ALP-POS-95f71980-29
0.577