Molecular Properties | |
SMILES: | CC(C)c1cc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)ccc1C(F)(F)F |
MW: | 553.2 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 75.44 |
cLogP: | 6.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | 2020-10-22 |
high halogen content (>3)
Long aliphatic chain
ALP-POS-02c6a514-18
1.000
ALF-EVA-719172df-6
0.737
LON-WEI-2e27a2e5-1
0.722
MAT-POS-f2460aef-1
0.722
MAT-POS-f2460aef-2
0.722
ALP-POS-b0bc6a46-22
0.697
ALP-POS-02c6a514-37
0.697
ALP-POS-b0bc6a46-23
0.694
ALP-POS-02c6a514-38
0.694
PAU-WEI-ca14c437-1
0.686
ALP-POS-b0bc6a46-24
0.673
ALP-POS-02c6a514-39
0.673
PET-UNK-48ab5cd7-6
0.673
ALP-POS-b0bc6a46-6
0.673
ALP-POS-02c6a514-7
0.673
MIC-UNK-8686cf1d-2
0.670
MIC-UNK-8686cf1d-6
0.657
PAU-WEI-d9f77348-1
0.657
PET-UNK-48ab5cd7-5
0.654
ALP-POS-02c6a514-20
0.644
ALP-POS-b0bc6a46-12
0.644
ALP-POS-02c6a514-29
0.642
ALP-POS-b0bc6a46-18
0.642
ALP-POS-02c6a514-5
0.636
ALP-POS-b0bc6a46-5
0.636
ALP-POS-02c6a514-43
0.627
ALP-POS-b0bc6a46-27
0.627
KHR-WEI-75c61062-2
0.619
PET-UNK-48ab5cd7-4
0.613
KHR-WEI-75c61062-1
0.612
ALP-POS-b0bc6a46-13
0.595
ALP-POS-02c6a514-21
0.595
RYA-UNI-f4a878f6-1
0.594
ALP-POS-b0bc6a46-8
0.593
ALP-POS-02c6a514-14
0.593
RYA-UNI-c3f66fb2-1
0.592
ALP-POS-305f6ec3-19
0.591
MIC-UNK-96659df2-7
0.589
ALP-POS-02c6a514-23
0.587
ALP-POS-b0bc6a46-14
0.587
ALP-POS-b0bc6a46-25
0.582
ALP-POS-02c6a514-41
0.582
LON-WEI-babf2c61-9
0.581
ALP-POS-02c6a514-12
0.579
ALP-POS-305f6ec3-49
0.579
ALP-POS-95f71980-21
0.575
MIC-UNK-96659df2-6
0.573
MAT-POS-f2460aef-4
0.569
ALP-POS-95f71980-4
0.565
MIC-UNK-96659df2-8
0.564
ALP-POS-95f71980-6
0.564
MIC-UNK-96659df2-5
0.563
ALP-POS-b0bc6a46-16
0.562
ALP-POS-02c6a514-27
0.562
ALP-POS-02c6a514-2
0.562
LON-WEI-2e27a2e5-2
0.562
ALP-POS-b0bc6a46-2
0.562
ALP-POS-02c6a514-26
0.561
BRU-THA-92256091-18
0.559
BRU-THA-92256091-32
0.559
WIL-UNI-354943b6-10
0.559
LON-POS-586a7c45-1
0.557
LON-WEI-adc59df6-47
0.557
ALP-POS-02c6a514-11
0.557
PAU-WEI-5b8d5051-1
0.557
PAU-WEI-5b8d5051-2
0.557
ALP-POS-95f71980-2
0.556
MIC-UNK-8686cf1d-9
0.556
ALP-POS-02c6a514-44
0.555
PAU-WEI-df8f33bc-2
0.555
MAT-POS-f2460aef-3
0.555
ALP-POS-b0bc6a46-7
0.554
ALP-POS-b0bc6a46-9
0.554
ALP-POS-ced8ea4d-67
0.554
ALP-POS-ced8ea4d-37
0.554
ALP-POS-02c6a514-8
0.554
ALP-POS-02c6a514-15
0.554
ALP-POS-b0bc6a46-3
0.552
ALP-POS-02c6a514-3
0.552
ALP-POS-95f71980-23
0.550
ALP-POS-b0bc6a46-21
0.549
ALP-POS-02c6a514-36
0.549
ALP-POS-02c6a514-22
0.545
ALP-POS-305f6ec3-27
0.545
ALP-POS-305f6ec3-41
0.545
PET-UNK-48ab5cd7-3
0.545
ALP-POS-305f6ec3-44
0.545
ALP-POS-305f6ec3-46
0.545
ALP-UNI-fe744232-18
0.545
MAT-POS-02ae579f-1
0.543
PET-UNK-7d68125a-2
0.541
ALP-POS-95f71980-17
0.541
PET-UNK-7d68125a-3
0.541
ALP-POS-02c6a514-50
0.541
DAR-DIA-48c639f7-17
0.541
ALP-POS-95f71980-7
0.541
ALP-POS-95f71980-25
0.541
PET-UNK-48ab5cd7-1
0.541
ALP-POS-305f6ec3-55
0.541
ALP-POS-305f6ec3-48
0.541