Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 499.23 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 75.44 |
cLogP: | 5.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.53315524259927 |
IC50 (µM) - RapidFire: | 0.452567910973816 |
pIC50 (µM) - Fluorescence | 5.59633819396853 |
Order Status | |
Shipped: | 2020-08-12 |
Long aliphatic chain
LON-WEI-adc59df6-47
PET-UNK-48ab5cd7-6
PET-UNK-48ab5cd7-3
PET-UNK-48ab5cd7-1
PET-UNK-48ab5cd7-4
PET-UNK-48ab5cd7-2
PET-UNK-48ab5cd7-5
PET-UNK-7d68125a-2
PET-UNK-7d68125a-4
PET-UNK-7d68125a-3
PET-UNK-7d68125a-1
PAU-WEI-5b8d5051-1
PAU-WEI-5b8d5051-2
JOE-NOR-4e4adc6b-1
MAT-POS-f2460aef-1
1.000
LON-WEI-2e27a2e5-1
1.000
PET-UNK-48ab5cd7-6
0.835
ALF-EVA-719172df-6
0.816
ALP-POS-02c6a514-38
0.807
ALP-POS-b0bc6a46-23
0.807
ALP-POS-305f6ec3-49
0.800
ALP-POS-02c6a514-37
0.789
ALP-POS-b0bc6a46-22
0.789
ALP-POS-b0bc6a46-24
0.780
ALP-POS-02c6a514-39
0.780
ALP-POS-02c6a514-12
0.780
LON-WEI-2e27a2e5-2
0.764
MAT-POS-f2460aef-4
0.763
MAT-POS-02ae579f-1
0.761
ALP-POS-02c6a514-11
0.756
PET-UNK-48ab5cd7-5
0.755
ALP-POS-02c6a514-26
0.739
LON-WEI-adc59df6-47
0.736
LON-POS-586a7c45-1
0.736
PAU-WEI-5b8d5051-1
0.736
ALP-POS-305f6ec3-44
0.734
PET-UNK-48ab5cd7-3
0.734
ALP-POS-02c6a514-5
0.732
ALP-POS-b0bc6a46-5
0.732
ALP-POS-02c6a514-50
0.726
PET-UNK-48ab5cd7-4
0.726
PAU-WEI-df8f33bc-2
0.726
ALP-POS-02c6a514-44
0.726
ALP-POS-305f6ec3-4
0.724
ALP-POS-305f6ec3-59
0.723
ALP-POS-02c6a514-52
0.723
ALP-POS-b0bc6a46-11
0.722
ALP-POS-02c6a514-18
0.722
PAU-WEI-5b8d5051-2
0.717
ALP-POS-02c6a514-54
0.716
ALP-POS-02c6a514-22
0.716
PET-UNK-48ab5cd7-2
0.716
ALP-POS-305f6ec3-46
0.716
ALP-POS-305f6ec3-27
0.716
ALP-POS-305f6ec3-41
0.716
ALP-POS-305f6ec3-19
0.714
MAT-POS-f2460aef-3
0.708
MAT-POS-f2460aef-5
0.708
ALP-POS-02c6a514-20
0.708
ALP-POS-02c6a514-6
0.708
ALP-POS-02c6a514-25
0.708
ALP-POS-02c6a514-49
0.708
ALP-POS-305f6ec3-6
0.708
ALP-POS-305f6ec3-14
0.708
PET-UNK-48ab5cd7-1
0.708
ALP-POS-b0bc6a46-12
0.708
ALP-POS-02c6a514-46
0.708
ALP-POS-305f6ec3-48
0.708
ALP-POS-305f6ec3-55
0.708
PET-UNK-7d68125a-4
0.702
ALF-EVA-46063d6e-2
0.702
ALP-POS-305f6ec3-56
0.701
ALP-POS-305f6ec3-2
0.701
ALP-POS-02c6a514-33
0.701
ALP-POS-02c6a514-40
0.697
ALP-POS-305f6ec3-20
0.697
PET-UNK-7d68125a-3
0.695
PET-UNK-7d68125a-2
0.695
ALP-POS-305f6ec3-38
0.694
ALP-POS-305f6ec3-40
0.694
ALP-POS-305f6ec3-52
0.694
ALP-POS-305f6ec3-3
0.694
ALP-POS-305f6ec3-39
0.694
MIC-UNK-96659df2-7
0.693
ALP-POS-305f6ec3-18
0.689
JOE-NOR-4e4adc6b-1
0.688
ALP-POS-305f6ec3-57
0.687
ALP-POS-305f6ec3-28
0.687
ALP-POS-02c6a514-7
0.687
ALP-POS-b0bc6a46-6
0.687
ALP-POS-305f6ec3-33
0.687
PAU-WEI-ca14c437-1
0.684
PET-UNK-7d68125a-1
0.680
ALP-POS-305f6ec3-50
0.680
ALP-POS-305f6ec3-54
0.680
ALP-POS-02c6a514-53
0.678
ALP-UNI-c3ef0aba-3
0.673
ALP-POS-305f6ec3-35
0.673
ALP-POS-305f6ec3-23
0.673
ALP-POS-305f6ec3-12
0.673
ALP-POS-c59291d4-6
0.670
PAU-WEI-d9f77348-1
0.670
MIC-UNK-96659df2-6
0.670
ALP-POS-305f6ec3-30
0.670
ALF-EVA-719172df-7
0.667
ALP-POS-305f6ec3-17
0.667
ALP-POS-305f6ec3-51
0.667
MIC-UNK-8686cf1d-2
0.667
ALP-POS-305f6ec3-5
0.663
ALP-POS-305f6ec3-10
0.663
ALP-POS-02c6a514-13
0.663
ALP-POS-02c6a514-17
0.663
ALP-POS-02c6a514-57
0.663
MIC-UNK-96659df2-8
0.660