Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1c(O)ccc2c1CCCC2)C(=O)c1ccco1 |
MW: | 527.22 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 95.67 |
cLogP: | 5.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 12.0753434624764 |
Order Status | |
Shipped: | 2020-10-22 |
o-Substituted phenols (2)
Long aliphatic chain
mannich_A(296)
ALP-POS-b0bc6a46-19
1.000
ALP-POS-b0bc6a46-2
0.648
ALP-POS-02c6a514-2
0.648
KHR-WEI-75c61062-1
0.621
ALP-POS-b0bc6a46-20
0.598
ALP-POS-02c6a514-35
0.598
ALP-POS-02c6a514-16
0.598
ALP-POS-b0bc6a46-10
0.598
ALP-POS-b0bc6a46-7
0.591
ALP-POS-02c6a514-8
0.591
MIC-UNK-8686cf1d-9
0.566
KHR-WEI-75c61062-2
0.551
ALP-POS-780445ae-7
0.537
ALP-POS-02c6a514-1
0.524
ALP-POS-b0bc6a46-1
0.524
ALP-POS-b0bc6a46-23
0.522
ALP-POS-02c6a514-38
0.522
ALP-POS-02c6a514-58
0.516
ALP-POS-b0bc6a46-29
0.516
ALF-EVA-719172df-6
0.513
ALP-POS-02c6a514-20
0.513
ALP-POS-b0bc6a46-12
0.513
PAU-WEI-d9f77348-1
0.512
ALP-POS-ced8ea4d-7
0.509
PET-UNK-48ab5cd7-5
0.508
PAU-WEI-ca14c437-1
0.508
MAT-POS-f2460aef-2
0.504
MAT-POS-f2460aef-1
0.504
LON-WEI-2e27a2e5-1
0.504
ALP-POS-02c6a514-37
0.500
MIC-UNK-8686cf1d-7
0.500
ALP-POS-b0bc6a46-22
0.500
MIC-UNK-8686cf1d-8
0.496
MIC-UNK-8686cf1d-3
0.496
ALP-POS-02c6a514-5
0.496
ALP-POS-b0bc6a46-5
0.496
ALP-POS-b0bc6a46-21
0.496
ALP-POS-02c6a514-36
0.496
ALP-POS-02c6a514-39
0.496
ALP-POS-ced8ea4d-64
0.496
ALP-POS-b0bc6a46-24
0.496
ALP-POS-e980f4ea-7
0.496
ALP-POS-b0bc6a46-4
0.492
ALP-POS-02c6a514-4
0.492
BRU-THA-92256091-11
0.491
MIC-UNK-8686cf1d-4
0.488
ALP-POS-02c6a514-7
0.488
ALP-POS-ced8ea4d-41
0.488
ALP-POS-b0bc6a46-11
0.488
ALP-POS-b0bc6a46-6
0.488
ALP-POS-02c6a514-18
0.488
PET-UNK-48ab5cd7-4
0.488
ALP-POS-ced8ea4d-46
0.484
ALP-POS-b0bc6a46-28
0.484
ALP-POS-02c6a514-47
0.484
ALP-POS-02c6a514-14
0.484
ALP-POS-b0bc6a46-8
0.484
ALP-POS-e980f4ea-64
0.483
ALP-POS-02c6a514-21
0.481
ALP-POS-b0bc6a46-13
0.481
ALP-POS-02c6a514-29
0.480
MIC-UNK-8686cf1d-6
0.480
ALP-POS-b0bc6a46-18
0.480
BRU-THA-92256091-7
0.479
ALP-POS-b0bc6a46-15
0.476
ALP-POS-02c6a514-24
0.476
MIC-UNK-8686cf1d-2
0.476
ALP-POS-02c6a514-15
0.476
PET-UNK-48ab5cd7-6
0.476
ALP-POS-b0bc6a46-9
0.476
ALP-POS-b0bc6a46-25
0.476
ALP-POS-02c6a514-41
0.476
ALP-POS-e980f4ea-41
0.475
MIC-UNK-8686cf1d-5
0.473
MIC-UNK-8686cf1d-1
0.473
ALP-POS-e980f4ea-46
0.472
MIC-UNK-96659df2-7
0.472
BRU-THA-92256091-27
0.468
ALP-POS-02c6a514-27
0.467
ALP-POS-b0bc6a46-16
0.467
ALP-POS-b0bc6a46-26
0.466
ALP-POS-02c6a514-42
0.466
MIC-UNK-96659df2-5
0.466
BRU-THA-92256091-41
0.465
ALP-POS-02c6a514-3
0.465
ALP-POS-b0bc6a46-3
0.465
ALP-POS-ced8ea4d-40
0.457
ALP-POS-02c6a514-23
0.457
ALP-POS-02c6a514-43
0.457
ALP-POS-b0bc6a46-14
0.457
ALP-POS-b0bc6a46-27
0.457
ALP-POS-780445ae-10
0.452
MIC-UNK-96659df2-6
0.451
ALP-POS-305f6ec3-47
0.451
LON-WEI-babf2c61-10
0.451
ALP-POS-95f71980-6
0.448
ALP-POS-02c6a514-10
0.447
ALP-POS-e980f4ea-40
0.445
ALP-POS-b0bc6a46-17
0.444
ALP-POS-ced8ea4d-48
0.444