Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(C(=O)c1ccco1)c1cccc(CSC2CCOCC2)c1 |
MW: | 573.21 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 11 |
TPSA: | 84.67 |
cLogP: | 5.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-02c6a514-21
1.000
PAU-WEI-ca14c437-1
0.634
PAU-WEI-d9f77348-1
0.623
ALF-EVA-719172df-6
0.615
ALP-POS-b0bc6a46-23
0.609
ALP-POS-02c6a514-38
0.609
ALP-POS-b0bc6a46-6
0.609
ALP-POS-02c6a514-7
0.609
PET-UNK-48ab5cd7-5
0.605
MAT-POS-f2460aef-1
0.604
LON-WEI-2e27a2e5-1
0.604
MAT-POS-f2460aef-2
0.604
ALP-POS-b0bc6a46-5
0.603
ALP-POS-02c6a514-5
0.603
ALP-POS-02c6a514-37
0.598
ALP-POS-b0bc6a46-22
0.598
ALP-POS-b0bc6a46-11
0.595
ALP-POS-02c6a514-18
0.595
ALP-POS-b0bc6a46-24
0.593
ALP-POS-02c6a514-39
0.593
MIC-UNK-8686cf1d-2
0.580
ALP-POS-b0bc6a46-18
0.570
ALP-POS-02c6a514-29
0.570
MIC-UNK-8686cf1d-6
0.570
KHR-WEI-75c61062-2
0.570
ALP-POS-b0bc6a46-12
0.569
ALP-POS-02c6a514-20
0.569
PET-UNK-48ab5cd7-6
0.568
KHR-WEI-75c61062-1
0.550
ALP-POS-b0bc6a46-16
0.550
ALP-POS-02c6a514-27
0.550
ALP-POS-b0bc6a46-14
0.550
ALP-POS-02c6a514-23
0.550
RYA-UNI-f4a878f6-1
0.550
PET-UNK-48ab5cd7-4
0.542
ALP-POS-02c6a514-28
0.540
ALP-POS-b0bc6a46-17
0.540
ALP-POS-02c6a514-14
0.538
ALP-POS-b0bc6a46-8
0.538
ALP-POS-b0bc6a46-25
0.529
ALP-POS-02c6a514-41
0.529
ALP-POS-02c6a514-3
0.528
ALP-POS-b0bc6a46-3
0.528
ALP-POS-b0bc6a46-27
0.526
ALP-POS-02c6a514-43
0.526
ALP-POS-b0bc6a46-28
0.524
MIC-UNK-96659df2-7
0.524
ALP-POS-02c6a514-47
0.524
RYA-UNI-c3f66fb2-1
0.522
ALP-POS-02c6a514-4
0.520
ALP-POS-b0bc6a46-4
0.520
MIC-UNK-8686cf1d-9
0.517
ALP-POS-b0bc6a46-9
0.516
ALP-POS-02c6a514-15
0.516
MIC-UNK-96659df2-8
0.516
MIC-UNK-96659df2-5
0.515
ALP-POS-b0bc6a46-21
0.512
ALP-POS-02c6a514-36
0.512
ALP-POS-e980f4ea-59
0.512
MIC-UNK-96659df2-6
0.512
ALP-POS-b0bc6a46-2
0.509
ALP-POS-02c6a514-2
0.509
BRU-THA-92256091-79
0.504
ALP-POS-ced8ea4d-59
0.504
ALP-POS-02c6a514-16
0.500
ALP-POS-b0bc6a46-10
0.500
MIC-UNK-8686cf1d-3
0.500
MIC-UNK-8686cf1d-4
0.492
ALP-POS-b0bc6a46-15
0.492
ALP-POS-02c6a514-24
0.492
ALP-POS-780445ae-10
0.492
ALP-POS-02c6a514-12
0.488
ALP-POS-305f6ec3-49
0.488
ALP-POS-95f71980-21
0.483
ALP-POS-305f6ec3-29
0.481
ALP-POS-02c6a514-30
0.481
ALP-POS-b0bc6a46-19
0.481
ALP-POS-02c6a514-1
0.481
ALP-POS-b0bc6a46-1
0.481
MIC-UNK-8686cf1d-7
0.481
ALP-POS-b0bc6a46-7
0.480
ALP-POS-02c6a514-8
0.480
ALP-POS-95f71980-24
0.480
DAR-DIA-48c639f7-17
0.480
MAT-POS-f2460aef-4
0.480
ALP-POS-95f71980-17
0.479
ALP-POS-ced8ea4d-28
0.479
ALP-POS-e980f4ea-28
0.479
MIC-UNK-8686cf1d-8
0.477
MIC-UNK-8686cf1d-1
0.477
ALP-POS-e980f4ea-53
0.477
ALP-POS-02c6a514-35
0.477
ALP-POS-b0bc6a46-20
0.477
ALP-POS-02c6a514-17
0.476
ALP-POS-e980f4ea-62
0.476
ALP-POS-305f6ec3-19
0.476
ALP-POS-95f71980-6
0.476
ALP-POS-1245c3fa-2
0.476
ALP-POS-95f71980-4
0.475
LON-WEI-babf2c61-9
0.475