Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2sc(N3CCOCC3)nc2Cl)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1 |
MW: | 635.21 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 87.66 |
cLogP: | 6.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
α-Halogen substituted N-heterocycles
Long aliphatic chain
ALP-POS-95f71980-19
0.672
ALP-POS-305f6ec3-3
0.658
ALP-POS-305f6ec3-58
0.627
LON-WEI-2e27a2e5-2
0.622
ALP-POS-305f6ec3-11
0.614
MAT-POS-f2460aef-4
0.612
ALP-POS-305f6ec3-49
0.609
ALP-POS-305f6ec3-2
0.607
MAT-POS-f2460aef-1
0.605
MAT-POS-f2460aef-2
0.605
LON-WEI-2e27a2e5-1
0.605
ALP-POS-95f71980-21
0.605
ALP-POS-02c6a514-11
0.602
ALP-POS-305f6ec3-36
0.602
ALP-POS-95f71980-17
0.600
ALP-POS-95f71980-2
0.600
ALP-POS-02c6a514-50
0.598
ALP-POS-305f6ec3-26
0.597
ALP-POS-305f6ec3-17
0.595
ALP-POS-02c6a514-12
0.595
ALP-POS-95f71980-4
0.595
ALP-POS-305f6ec3-5
0.593
ALP-POS-02c6a514-17
0.592
ALP-POS-02c6a514-26
0.591
PET-UNK-7d68125a-4
0.591
ALP-POS-02c6a514-22
0.590
ALP-POS-305f6ec3-27
0.590
ALP-POS-305f6ec3-44
0.590
ALP-POS-305f6ec3-46
0.590
ALP-POS-305f6ec3-41
0.590
PET-UNK-7d68125a-3
0.586
MAT-POS-f2460aef-5
0.585
ALP-POS-305f6ec3-48
0.585
ALP-POS-305f6ec3-55
0.585
ALP-POS-95f71980-24
0.585
ALP-POS-95f71980-25
0.585
ALP-POS-95f71980-7
0.585
ALP-POS-02c6a514-25
0.585
ALP-POS-02c6a514-49
0.585
ALP-POS-305f6ec3-6
0.585
ALP-POS-305f6ec3-15
0.581
ALP-POS-02c6a514-52
0.581
ALP-POS-305f6ec3-59
0.581
ALP-POS-95f71980-29
0.580
ALP-POS-95f71980-6
0.580
ALP-POS-95f71980-23
0.580
ALP-POS-305f6ec3-56
0.580
ALP-POS-305f6ec3-50
0.579
ALP-POS-95f71980-18
0.579
ALP-POS-305f6ec3-29
0.577
PET-UNK-48ab5cd7-2
0.576
PET-UNK-48ab5cd7-3
0.576
ALP-POS-305f6ec3-1
0.576
ALP-POS-305f6ec3-7
0.576
ALP-POS-305f6ec3-38
0.575
ALP-POS-305f6ec3-39
0.575
PAU-WEI-5b8d5051-1
0.574
PAU-WEI-5b8d5051-2
0.574
LON-POS-586a7c45-1
0.574
LON-WEI-adc59df6-47
0.574
ALP-POS-305f6ec3-4
0.574
ALP-POS-305f6ec3-35
0.574
ALP-POS-305f6ec3-23
0.574
ALP-POS-95f71980-22
0.571
MAT-POS-f2460aef-3
0.571
PET-UNK-48ab5cd7-1
0.571
ALP-POS-02c6a514-46
0.571
ALP-POS-02c6a514-6
0.571
ALP-POS-305f6ec3-14
0.571
ALP-POS-305f6ec3-57
0.570
ALP-POS-305f6ec3-33
0.570
ALP-POS-305f6ec3-10
0.568
ALP-POS-02c6a514-33
0.567
ALP-POS-305f6ec3-20
0.566
ALP-POS-305f6ec3-54
0.566
ALP-POS-305f6ec3-19
0.566
PET-UNK-7d68125a-1
0.563
ALP-POS-305f6ec3-30
0.562
ALP-POS-305f6ec3-40
0.562
ALP-POS-305f6ec3-52
0.562
ALP-POS-305f6ec3-12
0.561
ALP-POS-02c6a514-45
0.560
PET-UNK-7d68125a-2
0.559
ALP-POS-305f6ec3-28
0.557
JOE-NOR-4e4adc6b-1
0.555
ALP-POS-02c6a514-40
0.553
ALP-POS-02c6a514-51
0.553
ALP-POS-305f6ec3-42
0.552
ALP-POS-95f71980-11
0.551
ALP-POS-305f6ec3-8
0.546
ALP-POS-305f6ec3-31
0.546
ALP-POS-305f6ec3-34
0.545
ALP-POS-305f6ec3-37
0.545
ALP-UNI-c3ef0aba-3
0.545
ALP-POS-305f6ec3-51
0.544
ALP-POS-305f6ec3-16
0.543
ALP-POS-305f6ec3-9
0.542
ALP-POS-305f6ec3-18
0.539
ALP-POS-305f6ec3-47
0.538
ALP-UNI-fe744232-18
0.537