Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)CCC#N)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 486.24 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 86.09 |
cLogP: | 5.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 3.80185679998582 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
PET-UNK-7d68125a-4
0.822
PET-UNK-7d68125a-3
0.737
JOE-NOR-4e4adc6b-1
0.729
PET-UNK-7d68125a-2
0.719
PAU-WEI-5b8d5051-2
0.705
PET-UNK-7d68125a-1
0.704
LON-WEI-2e27a2e5-2
0.695
ALP-POS-02c6a514-33
0.690
LON-WEI-adc59df6-47
0.688
LON-POS-586a7c45-1
0.688
PAU-WEI-5b8d5051-1
0.688
ALP-POS-02c6a514-11
0.688
MAT-POS-f2460aef-3
0.680
ALP-POS-305f6ec3-59
0.677
ALP-POS-02c6a514-52
0.677
ALP-POS-305f6ec3-57
0.676
ALP-POS-95f71980-21
0.673
LON-WEI-2e27a2e5-1
0.673
MAT-POS-f2460aef-1
0.673
MAT-POS-f2460aef-2
0.673
ALP-POS-02c6a514-26
0.673
PET-UNK-48ab5cd7-2
0.670
ALP-POS-95f71980-2
0.667
ALP-POS-95f71980-17
0.667
ALP-POS-305f6ec3-14
0.663
ALP-POS-95f71980-25
0.663
MAT-POS-f2460aef-5
0.663
ALP-POS-02c6a514-25
0.663
ALP-POS-95f71980-22
0.663
ALP-POS-02c6a514-46
0.663
PET-UNK-48ab5cd7-1
0.663
ALP-POS-305f6ec3-6
0.663
ALP-POS-305f6ec3-33
0.660
ALP-POS-95f71980-4
0.660
ALP-POS-02c6a514-12
0.660
ALP-POS-305f6ec3-49
0.660
ALP-POS-305f6ec3-56
0.657
ALP-POS-305f6ec3-2
0.657
ALP-POS-305f6ec3-44
0.653
ALP-POS-02c6a514-22
0.653
ALP-POS-305f6ec3-27
0.653
ALP-POS-305f6ec3-41
0.653
PET-UNK-48ab5cd7-3
0.653
ALP-POS-305f6ec3-46
0.653
ALP-POS-305f6ec3-38
0.650
ALP-POS-305f6ec3-39
0.650
ALP-POS-305f6ec3-52
0.650
ALP-POS-95f71980-7
0.647
MAT-POS-f2460aef-4
0.647
ALP-POS-95f71980-24
0.647
ALP-POS-02c6a514-6
0.647
ALP-POS-02c6a514-49
0.647
ALP-POS-02c6a514-50
0.647
ALP-POS-305f6ec3-48
0.647
ALP-POS-305f6ec3-55
0.647
ALP-POS-305f6ec3-28
0.644
ALP-POS-305f6ec3-51
0.642
ALP-POS-95f71980-23
0.641
ALP-POS-95f71980-6
0.641
ALP-POS-95f71980-29
0.641
ALP-POS-95f71980-18
0.638
ALP-POS-02c6a514-51
0.638
ALP-POS-02c6a514-40
0.638
ALP-POS-305f6ec3-20
0.638
ALP-POS-305f6ec3-3
0.635
ALP-POS-305f6ec3-40
0.635
ALP-POS-305f6ec3-23
0.632
ALP-POS-305f6ec3-35
0.632
ALP-POS-305f6ec3-16
0.624
ALP-POS-305f6ec3-50
0.623
ALP-POS-305f6ec3-54
0.623
ALP-POS-02c6a514-17
0.623
ALP-POS-305f6ec3-19
0.623
ALP-POS-305f6ec3-42
0.620
ALP-POS-305f6ec3-4
0.617
ALP-POS-305f6ec3-12
0.617
PET-UNK-48ab5cd7-6
0.613
ALP-POS-305f6ec3-17
0.611
ALP-POS-305f6ec3-45
0.609
WIL-UNI-354943b6-10
0.604
ALP-POS-305f6ec3-1
0.604
ALP-POS-02c6a514-45
0.600
LON-WEI-babf2c61-9
0.598
ALP-POS-305f6ec3-21
0.596
ALP-POS-305f6ec3-5
0.595
ALP-POS-305f6ec3-10
0.595
ALP-POS-305f6ec3-9
0.591
ALP-POS-95f71980-11
0.589
ALP-POS-305f6ec3-36
0.589
ALP-POS-305f6ec3-18
0.589
ALP-POS-305f6ec3-7
0.589
ALP-POS-305f6ec3-30
0.588
ALP-POS-305f6ec3-8
0.583
ALP-POS-305f6ec3-31
0.583
ALP-POS-305f6ec3-32
0.583
ALP-POS-305f6ec3-43
0.575
ALP-UNI-fe744232-18
0.574
WIL-UNI-354943b6-2
0.574
ALP-POS-305f6ec3-47
0.574
ALP-POS-305f6ec3-13
0.573