Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2ccnc(N3CCOCC3)n2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 596.29 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 100.55 |
cLogP: | 4.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-02c6a514-50
0.682
ALP-POS-305f6ec3-22
0.672
ALP-POS-95f71980-4
0.664
PET-UNK-48ab5cd7-3
0.658
ALP-POS-95f71980-25
0.652
ALP-POS-305f6ec3-11
0.650
ALP-POS-305f6ec3-26
0.645
ALP-POS-305f6ec3-46
0.643
ALP-POS-95f71980-17
0.640
MAT-POS-f2460aef-3
0.637
ALP-POS-305f6ec3-48
0.637
ALP-POS-d0876c20-12
0.636
ALP-POS-02c6a514-12
0.634
LON-WEI-2e27a2e5-2
0.633
ALP-POS-95f71980-23
0.632
MAT-POS-f2460aef-2
0.631
MAT-POS-f2460aef-1
0.631
LON-WEI-2e27a2e5-1
0.631
ALP-POS-305f6ec3-50
0.629
ALP-POS-02c6a514-11
0.627
ALP-POS-305f6ec3-38
0.626
ALP-POS-305f6ec3-1
0.625
ALP-POS-305f6ec3-58
0.624
ALP-POS-305f6ec3-12
0.624
ALP-POS-305f6ec3-14
0.623
ALP-POS-305f6ec3-55
0.623
ALP-POS-95f71980-24
0.623
ALP-POS-95f71980-7
0.623
ALP-POS-305f6ec3-33
0.621
ALP-POS-305f6ec3-49
0.619
ALP-POS-02c6a514-26
0.616
ALP-POS-95f71980-21
0.616
ALP-POS-305f6ec3-20
0.615
ALP-POS-305f6ec3-54
0.615
ALP-POS-305f6ec3-27
0.614
ALP-POS-02c6a514-22
0.614
ALP-UNI-fe744232-18
0.612
MAT-POS-f2460aef-5
0.609
PET-UNK-48ab5cd7-1
0.609
ALP-POS-02c6a514-45
0.608
ALP-POS-305f6ec3-13
0.608
ALP-POS-305f6ec3-57
0.607
ALP-POS-305f6ec3-28
0.607
ALP-POS-305f6ec3-56
0.603
ALP-POS-02c6a514-33
0.603
ALP-POS-305f6ec3-2
0.603
ALP-POS-305f6ec3-10
0.603
ALP-POS-305f6ec3-37
0.603
PET-UNK-7d68125a-4
0.602
ALP-POS-02c6a514-17
0.602
ALP-POS-305f6ec3-44
0.600
PET-UNK-48ab5cd7-2
0.600
ALP-POS-305f6ec3-41
0.600
ALP-POS-95f71980-11
0.598
ALP-POS-305f6ec3-7
0.598
ALP-POS-305f6ec3-52
0.598
ALP-POS-305f6ec3-39
0.598
ALP-POS-305f6ec3-3
0.598
ALP-POS-95f71980-36
0.597
ALP-POS-95f71980-2
0.596
ALP-POS-02c6a514-46
0.595
MAT-POS-f2460aef-4
0.595
ALP-POS-02c6a514-25
0.595
ALP-POS-02c6a514-49
0.595
ALP-POS-305f6ec3-6
0.595
ALP-POS-305f6ec3-17
0.592
ALP-POS-02c6a514-52
0.591
ALP-POS-305f6ec3-59
0.591
ALP-POS-95f71980-29
0.590
ALP-POS-95f71980-6
0.590
ALP-POS-305f6ec3-19
0.588
ALP-POS-305f6ec3-53
0.587
ALP-POS-305f6ec3-9
0.587
ALP-POS-305f6ec3-40
0.585
ALP-POS-305f6ec3-43
0.585
LON-POS-586a7c45-1
0.584
PAU-WEI-5b8d5051-1
0.584
PAU-WEI-5b8d5051-2
0.584
LON-WEI-adc59df6-47
0.584
ALP-POS-305f6ec3-4
0.583
ALP-POS-305f6ec3-35
0.583
ALP-POS-02c6a514-6
0.581
ALP-POS-95f71980-22
0.581
ALP-POS-305f6ec3-31
0.579
ALP-POS-ced8ea4d-62
0.579
ALP-POS-305f6ec3-45
0.577
ALP-POS-02c6a514-51
0.575
ALP-POS-95f71980-18
0.575
ALP-POS-305f6ec3-29
0.574
PET-UNK-7d68125a-1
0.573
ALP-POS-ced8ea4d-27
0.573
ALP-POS-305f6ec3-36
0.573
ALP-POS-ced8ea4d-19
0.571
WIL-UNI-354943b6-10
0.571
ALP-POS-305f6ec3-23
0.570
PET-UNK-7d68125a-2
0.569
PET-UNK-7d68125a-3
0.569
ALP-POS-305f6ec3-21
0.567
ALP-POS-305f6ec3-51
0.566
ALP-POS-305f6ec3-5
0.565