Molecular Properties | |
SMILES: | COc1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 473.18 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 84.67 |
cLogP: | 4.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 30.4976776389087 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-37
1.000
ALF-EVA-719172df-6
0.828
ALP-POS-b0bc6a46-23
0.798
ALP-POS-02c6a514-38
0.798
LON-WEI-2e27a2e5-1
0.789
MAT-POS-f2460aef-2
0.789
MAT-POS-f2460aef-1
0.789
ALP-POS-b0bc6a46-24
0.772
ALP-POS-02c6a514-39
0.772
PET-UNK-48ab5cd7-5
0.747
ALP-POS-02c6a514-5
0.742
ALP-POS-b0bc6a46-5
0.742
PET-UNK-48ab5cd7-6
0.732
ALP-POS-e980f4ea-19
0.726
ALP-POS-ced8ea4d-19
0.722
ALP-POS-02c6a514-29
0.713
ALP-POS-b0bc6a46-18
0.713
BRU-THA-92256091-19
0.711
ALP-POS-b0bc6a46-11
0.697
ALP-POS-02c6a514-18
0.697
MIC-UNK-8686cf1d-2
0.693
RYA-UNI-c3f66fb2-1
0.681
ALP-POS-02c6a514-7
0.680
ALP-POS-b0bc6a46-6
0.680
PAU-WEI-ca14c437-1
0.677
ALP-POS-b0bc6a46-8
0.677
ALP-POS-02c6a514-14
0.677
MIC-UNK-8686cf1d-6
0.663
PAU-WEI-d9f77348-1
0.663
ALP-POS-02c6a514-41
0.663
ALP-POS-b0bc6a46-25
0.663
KHR-WEI-75c61062-2
0.659
KHR-WEI-75c61062-1
0.652
ALP-POS-02c6a514-27
0.634
ALP-POS-b0bc6a46-16
0.634
ALP-POS-02c6a514-20
0.634
ALP-POS-b0bc6a46-12
0.634
ALP-POS-02c6a514-25
0.634
PET-UNK-48ab5cd7-4
0.634
RYA-UNI-f4a878f6-1
0.632
ALP-POS-ced8ea4d-67
0.631
ALP-POS-305f6ec3-49
0.630
ALP-POS-e980f4ea-67
0.627
ALP-POS-95f71980-21
0.626
BRU-THA-92256091-18
0.621
ALP-POS-b0bc6a46-14
0.617
ALP-POS-b0bc6a46-27
0.617
ALP-POS-02c6a514-23
0.617
ALP-POS-02c6a514-43
0.617
ALP-POS-02c6a514-12
0.614
ALP-POS-b0bc6a46-2
0.612
ALP-POS-02c6a514-2
0.612
ALP-POS-02c6a514-28
0.609
ALP-POS-b0bc6a46-17
0.609
ALP-UNI-fe744232-30
0.607
ALP-POS-e980f4ea-51
0.606
ALP-POS-e980f4ea-12
0.606
ALP-POS-ced8ea4d-12
0.604
ALP-POS-ced8ea4d-51
0.604
MAT-POS-f2460aef-4
0.602
ALP-POS-02c6a514-21
0.598
ALP-POS-b0bc6a46-13
0.598
WIL-UNI-354943b6-14
0.598
ALP-POS-95f71980-4
0.598
ALP-POS-02c6a514-3
0.596
ALP-POS-b0bc6a46-3
0.596
ALP-POS-95f71980-6
0.596
LON-WEI-2e27a2e5-2
0.596
BRU-THA-92256091-16
0.594
ALP-POS-02c6a514-40
0.594
BRU-THA-92256091-17
0.594
MIC-UNK-96659df2-7
0.593
MAT-POS-02ae579f-1
0.592
ALP-POS-02c6a514-11
0.590
MIC-UNK-8686cf1d-9
0.588
ALP-POS-b0bc6a46-9
0.585
ALP-POS-02c6a514-15
0.585
ALP-POS-e980f4ea-52
0.581
ALP-POS-ced8ea4d-9
0.581
ALP-POS-95f71980-18
0.579
ALP-POS-ced8ea4d-52
0.579
ALP-POS-e980f4ea-27
0.578
ALP-POS-02c6a514-26
0.578
ALP-POS-e980f4ea-9
0.577
PET-UNK-48ab5cd7-2
0.577
ALP-POS-ced8ea4d-27
0.577
PET-UNK-48ab5cd7-3
0.577
ALP-POS-305f6ec3-44
0.577
MIC-UNK-96659df2-6
0.575
PAU-WEI-5b8d5051-1
0.574
LON-WEI-adc59df6-47
0.574
LON-POS-586a7c45-1
0.574
ALP-POS-305f6ec3-4
0.574
ALP-POS-305f6ec3-23
0.574
ALP-POS-95f71980-2
0.573
ALP-POS-95f71980-17
0.573
PAU-WEI-df8f33bc-2
0.571
ALP-POS-95f71980-25
0.571
ALP-POS-02c6a514-44
0.571
ALP-POS-02c6a514-50
0.571