Molecular Properties | |
SMILES: | CC(C)(C)c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2c(N3CCOCC3)nc3ccccn3c2=O)cc1 |
MW: | 652.28 |
Fraction sp3: | 0.31 |
HBA: | 9 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 122.28 |
cLogP: | 4.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 99.5 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-d0876c20-6
0.672
ALP-POS-d0876c20-12
0.645
ALP-POS-d0876c20-2
0.602
ALP-POS-d0876c20-11
0.598
ALP-POS-d0876c20-16
0.590
ALP-POS-d0876c20-5
0.575
ALP-POS-d0876c20-17
0.567
ALP-POS-02c6a514-50
0.566
ALP-POS-d0876c20-14
0.557
ALP-POS-d0876c20-24
0.555
ALP-POS-d0876c20-21
0.553
ALP-POS-d0876c20-9
0.551
ALP-POS-d0876c20-10
0.548
ALP-POS-d0876c20-3
0.548
ALP-POS-d0876c20-20
0.547
ALP-POS-d0876c20-15
0.543
ALP-POS-d0876c20-7
0.543
ALP-POS-a2344586-2
0.542
ALP-POS-d9b6304e-1
0.542
ALP-POS-d0876c20-1
0.535
ALP-POS-d0876c20-23
0.534
ALP-POS-d0876c20-18
0.534
ALP-POS-d0876c20-13
0.531
ALP-POS-d0876c20-4
0.530
ALP-POS-95f71980-19
0.529
ALP-POS-d0876c20-8
0.526
ALP-POS-d0876c20-19
0.519
ALP-UNI-fe744232-18
0.508
ALP-POS-02c6a514-34
0.496
ALP-POS-95f71980-36
0.496
ALP-POS-95f71980-10
0.482
ALP-POS-305f6ec3-22
0.479
ALP-POS-02c6a514-45
0.474
ALP-POS-ced8ea4d-16
0.474
ALP-POS-ced8ea4d-51
0.474
ALP-UNI-fe744232-9
0.474
ALP-POS-ced8ea4d-12
0.474
ALP-POS-ced8ea4d-19
0.473
ALP-POS-ced8ea4d-27
0.473
ALP-POS-95f71980-37
0.470
ALP-POS-ced8ea4d-62
0.470
ALP-POS-ced8ea4d-28
0.469
ALP-UNI-fe744232-22
0.467
ALP-POS-ced8ea4d-9
0.466
ALP-POS-95f71980-38
0.465
ALP-UNI-fe744232-12
0.459
ALP-UNI-fe744232-3
0.459
ALP-POS-ced8ea4d-67
0.459
ALP-POS-305f6ec3-26
0.458
ALP-POS-95f71980-28
0.457
ALP-POS-95f71980-34
0.457
ALP-POS-95f71980-35
0.457
ALP-UNI-fe744232-11
0.457
ALP-UNI-fe744232-15
0.456
ALP-UNI-fe744232-30
0.456
ALP-UNI-fe744232-14
0.455
ALP-POS-ced8ea4d-52
0.455
ALP-POS-ced8ea4d-5
0.455
ALP-POS-ced8ea4d-11
0.455
ALP-POS-ced8ea4d-65
0.454
ALP-POS-ced8ea4d-17
0.453
ALP-UNI-fe744232-1
0.453
ALP-UNI-fe744232-17
0.453
ALP-POS-ced8ea4d-63
0.452
ALP-POS-305f6ec3-11
0.451
PET-UNK-48ab5cd7-3
0.450
ALP-POS-ced8ea4d-8
0.450
ALP-POS-ced8ea4d-37
0.448
ALP-POS-ced8ea4d-32
0.448
ALP-POS-95f71980-15
0.448
MAT-POS-f2460aef-3
0.447
ALP-UNI-fe744232-13
0.447
ALP-POS-95f71980-27
0.447
ALP-POS-ced8ea4d-47
0.447
ALP-POS-ced8ea4d-39
0.444
MAT-POS-02ae579f-1
0.444
ALP-POS-95f71980-23
0.444
ALP-UNI-fe744232-19
0.443
ALP-POS-ced8ea4d-38
0.443
ALP-POS-ced8ea4d-53
0.443
ALP-POS-ced8ea4d-20
0.443
ALP-POS-305f6ec3-49
0.443
ALP-POS-95f71980-3
0.442
ALP-POS-305f6ec3-58
0.441
ALP-POS-305f6ec3-12
0.441
ALP-POS-95f71980-14
0.440
ALP-UNI-fe744232-25
0.440
ALP-POS-ced8ea4d-36
0.440
ALP-POS-305f6ec3-46
0.439
ALP-POS-95f71980-5
0.438
ALP-POS-305f6ec3-57
0.437
ALP-POS-88a7a97e-47
0.436
ALP-POS-a2344586-3
0.436
ALP-POS-95f71980-11
0.436
ALP-POS-ced8ea4d-10
0.436
ALP-POS-95f71980-17
0.435
ALP-POS-95f71980-16
0.434
ALP-POS-305f6ec3-50
0.434
ALP-POS-ced8ea4d-49
0.434
ALP-POS-ced8ea4d-24
0.433