Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2n[nH]c3c2COCC3)cc1 |
MW: | 565.21 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 113.35 |
cLogP: | 5.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 43.0300953085258 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-27
1.000
ALP-POS-780445ae-9
0.748
ALF-EVA-719172df-6
0.667
ALP-POS-b0bc6a46-23
0.661
ALP-POS-02c6a514-38
0.661
LON-WEI-2e27a2e5-1
0.640
MAT-POS-f2460aef-2
0.640
MAT-POS-f2460aef-1
0.640
ALP-POS-02c6a514-5
0.638
ALP-POS-b0bc6a46-5
0.638
ALP-POS-b0bc6a46-22
0.634
ALP-POS-02c6a514-37
0.634
ALP-POS-02c6a514-39
0.628
ALP-POS-b0bc6a46-24
0.628
PET-UNK-48ab5cd7-5
0.626
PET-UNK-48ab5cd7-6
0.602
ALP-POS-b0bc6a46-6
0.575
ALP-POS-02c6a514-7
0.575
ALP-POS-b0bc6a46-11
0.562
ALP-POS-02c6a514-18
0.562
PAU-WEI-ca14c437-1
0.558
RYA-UNI-c3f66fb2-1
0.557
ALP-POS-b0bc6a46-18
0.552
ALP-POS-02c6a514-29
0.552
MIC-UNK-8686cf1d-6
0.552
ALP-POS-b0bc6a46-13
0.550
ALP-POS-02c6a514-21
0.550
PAU-WEI-d9f77348-1
0.549
MIC-UNK-8686cf1d-2
0.548
KHR-WEI-75c61062-1
0.545
ALP-POS-02c6a514-20
0.537
ALP-POS-b0bc6a46-12
0.537
ALP-POS-02c6a514-23
0.533
ALP-POS-b0bc6a46-14
0.533
ALP-POS-e980f4ea-62
0.532
ALP-POS-95f71980-21
0.529
PET-UNK-48ab5cd7-4
0.525
ALP-POS-ced8ea4d-62
0.524
BRU-THA-92256091-80
0.524
KHR-WEI-75c61062-2
0.522
ALP-POS-305f6ec3-49
0.521
ALP-POS-b0bc6a46-8
0.520
ALP-POS-02c6a514-14
0.520
RYA-UNI-f4a878f6-1
0.517
ALP-POS-b0bc6a46-2
0.517
ALP-POS-02c6a514-2
0.517
ALP-POS-e980f4ea-27
0.517
ALP-POS-ced8ea4d-27
0.516
ALP-POS-780445ae-8
0.515
MAT-POS-f2460aef-4
0.512
MAT-POS-f2460aef-5
0.512
ALP-POS-02c6a514-41
0.512
ALP-POS-b0bc6a46-25
0.512
ALP-POS-b0bc6a46-3
0.512
ALP-POS-02c6a514-3
0.512
ALP-POS-02c6a514-28
0.511
ALP-POS-b0bc6a46-17
0.511
BRU-THA-92256091-24
0.508
ALP-POS-02c6a514-12
0.508
ALP-POS-02c6a514-52
0.508
ALP-POS-02c6a514-36
0.508
ALP-POS-b0bc6a46-21
0.508
ALP-POS-305f6ec3-20
0.508
MIC-UNK-96659df2-7
0.508
ALP-POS-e980f4ea-53
0.508
ALP-POS-305f6ec3-30
0.508
LON-WEI-2e27a2e5-2
0.504
ALP-POS-305f6ec3-38
0.504
ALP-POS-305f6ec3-35
0.504
ALP-POS-e980f4ea-47
0.504
ALP-POS-95f71980-19
0.504
WIL-UNI-354943b6-12
0.500
DAR-DIA-48c639f7-8
0.500
MIC-UNK-8686cf1d-9
0.500
ALP-POS-02c6a514-11
0.500
ALP-POS-305f6ec3-51
0.500
ALP-POS-b0bc6a46-27
0.500
ALP-POS-780445ae-10
0.500
MIC-UNK-96659df2-8
0.500
PET-UNK-48ab5cd7-1
0.500
MAT-POS-02ae579f-1
0.500
ALP-POS-95f71980-22
0.500
BRU-THA-92256091-54
0.500
ALP-POS-02c6a514-43
0.500
BRU-THA-92256091-55
0.496
ALP-POS-95f71980-27
0.496
ALP-POS-95f71980-34
0.496
ALP-POS-ced8ea4d-47
0.496
ALP-POS-305f6ec3-47
0.496
MIC-UNK-96659df2-6
0.496
ALP-UNI-fe744232-22
0.496
DAR-DIA-48c639f7-1
0.496
ALP-POS-95f71980-18
0.496
ALP-POS-ced8ea4d-9
0.496
ALP-POS-95f71980-6
0.496
ALP-POS-305f6ec3-59
0.496
ALP-POS-95f71980-4
0.496
BRU-THA-92256091-91
0.493
ALP-POS-ced8ea4d-53
0.492
DAR-DIA-48c639f7-2
0.492