Molecular Properties | |
SMILES: | O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1)C(=O)c1ccco1 |
MW: | 457.18 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 4.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
Long aliphatic chain
ALP-POS-b0bc6a46-2
1.000
KHR-WEI-75c61062-1
0.762
ALP-POS-e980f4ea-64
0.714
ALP-POS-ced8ea4d-64
0.710
ALP-POS-02c6a514-8
0.708
ALP-POS-b0bc6a46-7
0.708
BRU-THA-92256091-7
0.707
ALP-POS-02c6a514-16
0.697
ALP-POS-b0bc6a46-10
0.697
ALP-POS-02c6a514-35
0.697
ALP-POS-b0bc6a46-20
0.697
MIC-UNK-8686cf1d-9
0.681
KHR-WEI-75c61062-2
0.670
ALP-POS-b0bc6a46-19
0.648
ALP-POS-02c6a514-30
0.648
ALP-POS-02c6a514-58
0.641
ALP-POS-b0bc6a46-29
0.641
ALF-EVA-719172df-6
0.632
ALP-POS-b0bc6a46-23
0.625
ALP-POS-02c6a514-38
0.625
LON-WEI-2e27a2e5-1
0.619
MAT-POS-f2460aef-2
0.619
MAT-POS-f2460aef-1
0.619
ALP-POS-02c6a514-37
0.612
ALP-POS-b0bc6a46-22
0.612
ALP-POS-b0bc6a46-24
0.606
ALP-POS-02c6a514-39
0.606
ALP-POS-b0bc6a46-1
0.604
ALP-POS-02c6a514-1
0.604
ALP-POS-b0bc6a46-12
0.594
ALP-POS-02c6a514-20
0.594
ALP-POS-e980f4ea-7
0.594
ALP-POS-ced8ea4d-7
0.592
ALP-POS-b0bc6a46-8
0.588
ALP-POS-02c6a514-14
0.588
PET-UNK-48ab5cd7-5
0.588
BRU-THA-92256091-11
0.588
ALP-POS-b0bc6a46-28
0.585
ALP-POS-02c6a514-47
0.585
PET-UNK-48ab5cd7-4
0.578
PET-UNK-48ab5cd7-6
0.577
ALP-POS-b0bc6a46-3
0.574
ALP-POS-02c6a514-3
0.574
PAU-WEI-ca14c437-1
0.573
ALP-POS-b0bc6a46-5
0.571
ALP-POS-02c6a514-5
0.571
ALP-POS-02c6a514-29
0.565
ALP-POS-b0bc6a46-18
0.565
ALP-POS-e980f4ea-41
0.563
ALP-POS-b0bc6a46-11
0.562
ALP-POS-02c6a514-18
0.562
PAU-WEI-d9f77348-1
0.562
ALP-POS-ced8ea4d-41
0.562
ALP-POS-b0bc6a46-6
0.562
ALP-POS-02c6a514-7
0.562
ALP-POS-02c6a514-15
0.562
ALP-POS-b0bc6a46-9
0.562
ALP-POS-b0bc6a46-25
0.562
ALP-POS-02c6a514-41
0.562
ALP-POS-b0bc6a46-15
0.561
ALP-POS-02c6a514-24
0.561
ALP-POS-b0bc6a46-21
0.557
ALP-POS-02c6a514-36
0.557
MIC-UNK-96659df2-7
0.556
BRU-THA-92256091-27
0.552
ALP-POS-b0bc6a46-4
0.551
ALP-POS-02c6a514-4
0.551
ALP-POS-e980f4ea-28
0.550
ALP-POS-02c6a514-11
0.550
ALP-POS-ced8ea4d-28
0.549
ALP-POS-e980f4ea-54
0.549
BRU-THA-92256091-6
0.548
MIC-UNK-8686cf1d-2
0.546
ALP-POS-ced8ea4d-54
0.543
MIC-UNK-8686cf1d-3
0.541
BRU-THA-92256091-8
0.539
ALP-POS-e980f4ea-40
0.537
MIC-UNK-8686cf1d-6
0.536
ALP-POS-ced8ea4d-40
0.536
MIC-UNK-8686cf1d-7
0.532
MIC-UNK-96659df2-8
0.531
ALP-POS-02c6a514-12
0.529
ALP-POS-95f71980-13
0.528
BRU-THA-92256091-28
0.527
MIC-UNK-8686cf1d-1
0.527
RYA-UNI-f4a878f6-1
0.525
RYA-UNI-c3f66fb2-1
0.525
ALP-POS-02c6a514-10
0.522
MAT-POS-02ae579f-1
0.520
PAU-WEI-5b8d5051-1
0.520
LON-WEI-adc59df6-47
0.520
LON-POS-586a7c45-1
0.520
LON-WEI-babf2c61-10
0.519
ALP-POS-02c6a514-28
0.518
ALP-POS-b0bc6a46-17
0.518
MIC-UNK-8686cf1d-4
0.518
MIC-UNK-96659df2-5
0.517
ALP-POS-b0bc6a46-16
0.517
ALP-POS-02c6a514-27
0.517
ALP-POS-02c6a514-43
0.517