Molecular Properties | |
SMILES: | CCc1nc(-c2nnc[nH]2)sc1C(=O)N(c1ccc(C(C)(C)C)cc1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1 |
MW: | 611.25 |
Fraction sp3: | 0.27 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 116.76 |
cLogP: | 6.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-305f6ec3-2
0.632
ALP-POS-305f6ec3-5
0.630
ALP-POS-305f6ec3-3
0.626
ALP-POS-02c6a514-46
0.623
ALP-POS-95f71980-22
0.623
ALP-POS-305f6ec3-6
0.623
ALP-POS-02c6a514-12
0.619
LON-WEI-2e27a2e5-2
0.618
ALP-POS-305f6ec3-8
0.618
ALP-POS-95f71980-29
0.617
MAT-POS-f2460aef-1
0.616
LON-WEI-2e27a2e5-1
0.616
MAT-POS-f2460aef-2
0.616
PET-UNK-48ab5cd7-2
0.614
ALP-POS-305f6ec3-41
0.614
ALP-POS-02c6a514-11
0.613
ALP-POS-305f6ec3-38
0.612
ALP-POS-305f6ec3-36
0.612
ALP-POS-95f71980-17
0.611
ALP-POS-95f71980-2
0.611
ALP-POS-305f6ec3-14
0.609
ALP-POS-02c6a514-49
0.609
MAT-POS-f2460aef-3
0.609
ALP-POS-95f71980-7
0.609
ALP-POS-305f6ec3-49
0.605
ALP-POS-305f6ec3-59
0.605
ALP-POS-02c6a514-52
0.605
ALP-POS-305f6ec3-17
0.605
ALP-POS-02c6a514-26
0.602
ALP-POS-95f71980-21
0.602
ALP-POS-305f6ec3-27
0.600
ALP-POS-305f6ec3-42
0.600
ALP-POS-305f6ec3-52
0.598
PAU-WEI-5b8d5051-2
0.598
ALP-POS-02c6a514-25
0.595
ALP-POS-95f71980-24
0.595
PET-UNK-48ab5cd7-1
0.595
ALP-POS-02c6a514-6
0.595
MAT-POS-f2460aef-4
0.595
MAT-POS-f2460aef-5
0.595
ALP-POS-305f6ec3-48
0.595
ALP-POS-305f6ec3-33
0.593
ALP-POS-305f6ec3-28
0.593
ALP-POS-305f6ec3-57
0.593
ALP-POS-95f71980-4
0.591
ALP-POS-95f71980-6
0.590
ALP-POS-95f71980-23
0.590
ALP-POS-02c6a514-22
0.586
ALP-POS-305f6ec3-46
0.586
ALP-POS-305f6ec3-44
0.586
PET-UNK-48ab5cd7-3
0.586
ALP-POS-305f6ec3-39
0.585
ALP-POS-305f6ec3-40
0.585
LON-POS-586a7c45-1
0.584
PAU-WEI-5b8d5051-1
0.584
LON-WEI-adc59df6-47
0.584
ALP-POS-305f6ec3-22
0.581
ALP-POS-95f71980-25
0.581
ALP-POS-305f6ec3-55
0.581
ALP-POS-02c6a514-50
0.581
ALP-POS-305f6ec3-16
0.577
ALP-POS-305f6ec3-56
0.576
ALP-POS-02c6a514-33
0.576
ALP-POS-305f6ec3-50
0.575
ALP-POS-305f6ec3-19
0.575
ALP-POS-305f6ec3-20
0.575
ALP-POS-02c6a514-40
0.575
PET-UNK-7d68125a-4
0.574
PET-UNK-7d68125a-1
0.573
WIL-UNI-354943b6-10
0.571
ALP-POS-305f6ec3-23
0.570
ALP-POS-305f6ec3-35
0.570
PET-UNK-7d68125a-2
0.569
PET-UNK-7d68125a-3
0.569
ALP-UNI-c3ef0aba-3
0.568
ALP-POS-305f6ec3-21
0.567
ALP-POS-305f6ec3-51
0.566
JOE-NOR-4e4adc6b-1
0.564
ALP-POS-95f71980-18
0.562
ALP-POS-305f6ec3-54
0.562
ALP-POS-95f71980-11
0.560
ALP-POS-305f6ec3-12
0.557
ALP-POS-305f6ec3-4
0.557
ALP-POS-02c6a514-45
0.556
ALP-POS-305f6ec3-10
0.552
ALP-POS-305f6ec3-45
0.552
ALP-POS-02c6a514-17
0.549
ALP-POS-02c6a514-51
0.549
ALP-POS-305f6ec3-7
0.548
ALP-UNI-fe744232-18
0.545
ALP-POS-305f6ec3-24
0.543
ALP-POS-305f6ec3-32
0.543
ALP-POS-305f6ec3-31
0.543
ALP-POS-305f6ec3-34
0.542
ALP-POS-305f6ec3-29
0.538
ALP-POS-305f6ec3-11
0.538
ALP-POS-305f6ec3-1
0.535
ALP-POS-305f6ec3-18
0.535
ALP-POS-305f6ec3-30
0.535
ALP-POS-305f6ec3-13
0.534