Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2c[nH]c(=O)s2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 532.19 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 95.16 |
cLogP: | 5.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 29.0907698711905 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-305f6ec3-57
0.773
ALP-POS-95f71980-2
0.766
ALP-POS-95f71980-17
0.766
ALP-POS-305f6ec3-41
0.750
ALP-POS-305f6ec3-46
0.732
ALP-POS-305f6ec3-38
0.727
ALP-POS-305f6ec3-52
0.727
ALP-POS-02c6a514-49
0.724
ALP-POS-305f6ec3-48
0.724
LON-WEI-2e27a2e5-2
0.723
ALP-POS-305f6ec3-23
0.723
ALP-POS-95f71980-4
0.722
ALP-POS-305f6ec3-59
0.722
ALP-POS-305f6ec3-33
0.720
ALP-POS-02c6a514-11
0.716
ALP-POS-02c6a514-22
0.714
MAT-POS-f2460aef-3
0.707
ALP-POS-95f71980-7
0.707
ALP-POS-02c6a514-50
0.707
ALP-POS-305f6ec3-6
0.707
PET-UNK-48ab5cd7-1
0.707
ALP-POS-02c6a514-46
0.707
MAT-POS-f2460aef-5
0.707
ALP-POS-305f6ec3-14
0.707
ALP-POS-95f71980-24
0.707
ALP-POS-02c6a514-52
0.704
ALP-POS-305f6ec3-28
0.703
MAT-POS-f2460aef-2
0.701
ALP-POS-95f71980-21
0.701
ALP-POS-02c6a514-26
0.701
LON-WEI-2e27a2e5-1
0.701
MAT-POS-f2460aef-1
0.701
ALP-POS-95f71980-29
0.700
ALP-POS-305f6ec3-56
0.700
ALP-POS-95f71980-23
0.700
ALP-POS-305f6ec3-27
0.697
PET-UNK-48ab5cd7-2
0.697
PET-UNK-48ab5cd7-3
0.697
ALP-POS-305f6ec3-50
0.696
ALP-POS-305f6ec3-39
0.693
ALP-POS-305f6ec3-42
0.692
ALP-POS-305f6ec3-55
0.690
ALP-POS-95f71980-22
0.690
ALP-POS-95f71980-25
0.690
ALP-POS-305f6ec3-35
0.689
ALP-POS-305f6ec3-12
0.689
ALP-POS-305f6ec3-49
0.687
ALP-POS-02c6a514-12
0.687
ALP-POS-95f71980-6
0.683
PAU-WEI-5b8d5051-2
0.680
LON-POS-586a7c45-1
0.680
LON-WEI-adc59df6-47
0.680
PAU-WEI-5b8d5051-1
0.680
ALP-POS-305f6ec3-44
0.680
ALP-POS-305f6ec3-20
0.680
ALP-POS-305f6ec3-54
0.680
ALP-POS-95f71980-18
0.680
ALP-POS-305f6ec3-3
0.676
ALP-POS-305f6ec3-40
0.676
ALP-POS-02c6a514-6
0.673
ALP-POS-02c6a514-25
0.673
MAT-POS-f2460aef-4
0.673
PET-UNK-7d68125a-4
0.667
ALP-POS-305f6ec3-17
0.667
ALP-POS-02c6a514-33
0.667
ALP-POS-305f6ec3-10
0.664
PET-UNK-7d68125a-2
0.660
PET-UNK-7d68125a-3
0.660
ALP-POS-305f6ec3-4
0.657
ALP-UNI-c3ef0aba-3
0.657
ALP-POS-305f6ec3-29
0.655
ALP-POS-02c6a514-45
0.654
JOE-NOR-4e4adc6b-1
0.653
ALP-POS-305f6ec3-51
0.651
ALP-POS-305f6ec3-31
0.649
ALP-POS-305f6ec3-32
0.649
ALP-POS-305f6ec3-21
0.649
ALP-POS-305f6ec3-45
0.648
ALP-POS-305f6ec3-5
0.648
ALP-POS-305f6ec3-16
0.648
ALP-POS-02c6a514-40
0.648
ALP-POS-305f6ec3-19
0.648
PET-UNK-7d68125a-1
0.647
ALP-POS-305f6ec3-36
0.642
ALP-POS-305f6ec3-13
0.637
ALP-POS-305f6ec3-8
0.634
ALP-POS-305f6ec3-24
0.634
ALP-POS-02c6a514-51
0.632
ALP-POS-305f6ec3-15
0.632
ALP-POS-305f6ec3-37
0.632
WIL-UNI-354943b6-10
0.629
ALP-UNI-fe744232-18
0.629
ALP-POS-305f6ec3-53
0.628
ALP-POS-305f6ec3-1
0.627
ALP-POS-305f6ec3-18
0.627
ALP-POS-95f71980-11
0.627
ALP-POS-305f6ec3-11
0.626
ALP-POS-02c6a514-17
0.617
ALP-POS-305f6ec3-9
0.614
ALP-POS-305f6ec3-7
0.613