Molecular Properties | |
SMILES: | N#Cc1cc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)ccc1Oc1ccc(C(F)(F)F)cc1 |
MW: | 628.17 |
Fraction sp3: | 0.12 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 10 |
TPSA: | 108.46 |
cLogP: | 7.24 |
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-02c6a514-43
1.000
PET-UNK-48ab5cd7-6
0.627
ALP-POS-02c6a514-18
0.627
ALP-POS-b0bc6a46-11
0.627
ALP-POS-02c6a514-39
0.626
ALP-POS-b0bc6a46-24
0.626
MAT-POS-f2460aef-2
0.623
LON-WEI-2e27a2e5-1
0.623
MAT-POS-f2460aef-1
0.623
ALP-POS-b0bc6a46-22
0.617
ALP-POS-02c6a514-37
0.617
ALP-POS-02c6a514-29
0.602
ALP-POS-b0bc6a46-18
0.602
ALP-POS-b0bc6a46-23
0.600
ALP-POS-02c6a514-38
0.600
ALF-EVA-719172df-6
0.591
ALP-POS-02c6a514-7
0.587
ALP-POS-b0bc6a46-6
0.587
PAU-WEI-d9f77348-1
0.587
PAU-WEI-ca14c437-1
0.583
MIC-UNK-8686cf1d-2
0.560
PET-UNK-48ab5cd7-5
0.557
ALP-POS-02c6a514-5
0.556
ALP-POS-b0bc6a46-5
0.556
MIC-UNK-8686cf1d-6
0.551
PET-UNK-48ab5cd7-4
0.549
LON-WEI-babf2c61-9
0.546
ALP-POS-b0bc6a46-14
0.544
ALP-POS-02c6a514-23
0.544
ALP-POS-02c6a514-20
0.537
ALP-POS-b0bc6a46-12
0.537
ALP-POS-02c6a514-8
0.536
ALP-POS-b0bc6a46-7
0.536
ALP-POS-02c6a514-14
0.532
ALP-POS-b0bc6a46-8
0.532
ALP-POS-305f6ec3-19
0.532
KHR-WEI-75c61062-1
0.530
PET-UNK-7d68125a-4
0.529
ALP-POS-b0bc6a46-13
0.526
ALP-POS-02c6a514-21
0.526
ALP-POS-b0bc6a46-25
0.524
ALP-POS-02c6a514-41
0.524
ALP-POS-02c6a514-33
0.520
ALP-POS-02c6a514-35
0.519
ALP-POS-b0bc6a46-20
0.519
MIC-UNK-96659df2-7
0.519
ALP-POS-b0bc6a46-2
0.517
ALP-POS-02c6a514-2
0.517
ALP-POS-02c6a514-26
0.516
ALP-POS-02c6a514-11
0.512
PET-UNK-7d68125a-2
0.512
PET-UNK-7d68125a-3
0.512
ALP-POS-02c6a514-25
0.512
ALP-POS-02c6a514-3
0.511
ALP-POS-b0bc6a46-3
0.511
KHR-WEI-75c61062-2
0.509
JOE-NOR-4e4adc6b-1
0.508
ALP-POS-02c6a514-12
0.508
ALP-POS-305f6ec3-49
0.508
MIC-UNK-96659df2-6
0.507
RYA-UNI-f4a878f6-1
0.504
LON-WEI-2e27a2e5-2
0.504
RYA-UNI-c3f66fb2-1
0.504
ALP-POS-95f71980-21
0.504
MAT-POS-f2460aef-4
0.500
MIC-UNK-8686cf1d-9
0.500
ALP-POS-b0bc6a46-9
0.500
ALP-POS-02c6a514-15
0.500
ALP-POS-b0bc6a46-16
0.500
ALP-POS-02c6a514-27
0.500
MIC-UNK-96659df2-8
0.500
ALP-POS-95f71980-6
0.496
ALP-POS-95f71980-4
0.496
ALP-POS-b0bc6a46-4
0.492
ALP-POS-02c6a514-4
0.492
PET-UNK-7d68125a-1
0.492
ALP-POS-305f6ec3-41
0.492
ALP-POS-305f6ec3-44
0.492
MIC-UNK-96659df2-5
0.489
MAT-POS-f2460aef-5
0.488
PAU-WEI-df8f33bc-2
0.488
ALP-POS-02c6a514-44
0.488
ALP-UNI-c3ef0aba-3
0.488
ALP-POS-95f71980-7
0.488
ALP-POS-95f71980-2
0.488
ALP-POS-95f71980-17
0.488
PAU-WEI-5b8d5051-1
0.488
PAU-WEI-5b8d5051-2
0.488
LON-POS-586a7c45-1
0.488
LON-WEI-adc59df6-47
0.488
MAT-POS-02ae579f-1
0.488
ALP-POS-02c6a514-36
0.485
ALP-POS-b0bc6a46-21
0.485
ALP-POS-02c6a514-40
0.485
ALP-POS-95f71980-18
0.485
ALP-POS-95f71980-23
0.484
ALP-POS-e980f4ea-67
0.484
ALP-POS-305f6ec3-4
0.481
ALP-POS-305f6ec3-23
0.481
ALP-POS-305f6ec3-40
0.481