Molecular Properties | |
SMILES: | COc1nc2ncc(C(C(=O)NCCc3cccc(F)c3)N(C(=O)c3cocn3)c3ccc(C(C)(C)C)cc3)cn2n1 |
MW: | 571.23 |
Fraction sp3: | 0.27 |
HBA: | 9 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 127.75 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 33.419823305515 |
Order Status | |
Shipped: | synthesis in progress |
Long aliphatic chain
ALP-POS-d0876c20-17
0.689
ALP-POS-d0876c20-14
0.676
ALP-POS-d0876c20-5
0.667
ALP-POS-02c6a514-50
0.655
ALP-POS-d0876c20-16
0.637
ALP-POS-d0876c20-3
0.632
ALP-POS-d0876c20-12
0.624
ALP-POS-d0876c20-13
0.624
ALP-POS-d0876c20-19
0.624
ALP-POS-d0876c20-24
0.624
ALP-POS-d0876c20-15
0.612
ALP-POS-d0876c20-21
0.611
ALP-POS-d0876c20-10
0.605
ALP-POS-d0876c20-1
0.590
ALP-POS-d0876c20-11
0.590
ALP-POS-d0876c20-18
0.587
ALP-POS-ced8ea4d-19
0.586
ALP-UNI-fe744232-18
0.586
ALP-POS-d0876c20-20
0.575
ALP-POS-d0876c20-23
0.574
ALP-POS-d0876c20-7
0.571
ALP-POS-95f71980-36
0.571
ALP-POS-d0876c20-2
0.567
ALP-POS-d0876c20-9
0.567
ALP-POS-ced8ea4d-52
0.550
ALP-UNI-fe744232-30
0.549
ALP-POS-ced8ea4d-27
0.547
ALP-POS-a2344586-2
0.544
ALP-POS-d9b6304e-1
0.544
ALP-POS-ced8ea4d-67
0.542
ALP-POS-ced8ea4d-9
0.538
ALP-UNI-fe744232-14
0.537
ALP-UNI-fe744232-22
0.537
ALP-UNI-fe744232-11
0.536
ALP-POS-ced8ea4d-12
0.533
ALP-POS-ced8ea4d-51
0.533
ALP-UNI-fe744232-9
0.533
ALP-POS-ced8ea4d-16
0.532
ALP-POS-ced8ea4d-28
0.530
ALP-POS-d0876c20-22
0.530
ALP-UNI-fe744232-3
0.529
ALP-POS-d0876c20-8
0.527
ALP-POS-ced8ea4d-5
0.525
ALP-POS-ced8ea4d-11
0.525
ALP-UNI-fe744232-15
0.524
ALP-UNI-fe744232-17
0.520
ALP-UNI-fe744232-1
0.520
ALP-POS-95f71980-5
0.516
ALP-POS-ced8ea4d-62
0.516
ALP-POS-95f71980-37
0.516
ALP-UNI-fe744232-12
0.516
ALP-POS-d0876c20-6
0.515
ALP-POS-ced8ea4d-50
0.512
ALP-POS-305f6ec3-46
0.508
ALP-POS-305f6ec3-12
0.508
ALP-POS-02c6a514-45
0.508
ALP-POS-95f71980-3
0.508
ALP-POS-ced8ea4d-17
0.508
ALP-UNI-fe744232-19
0.508
ALP-POS-305f6ec3-34
0.508
MAT-POS-f2460aef-5
0.504
MAT-POS-f2460aef-3
0.504
ALP-POS-305f6ec3-48
0.504
ALP-POS-95f71980-25
0.504
ALP-POS-ced8ea4d-37
0.504
ALP-POS-95f71980-33
0.504
ALP-POS-95f71980-10
0.504
ALP-POS-305f6ec3-53
0.504
ALP-POS-305f6ec3-50
0.500
ALP-POS-ced8ea4d-49
0.500
ALP-POS-ced8ea4d-39
0.500
ALP-POS-ced8ea4d-32
0.500
ALP-POS-95f71980-4
0.500
ALP-POS-95f71980-28
0.500
ALP-POS-95f71980-34
0.500
ALP-POS-95f71980-35
0.500
ALP-POS-95f71980-27
0.500
PET-UNK-48ab5cd7-3
0.496
ALP-UNI-fe744232-25
0.492
ALP-POS-02c6a514-25
0.492
PET-UNK-48ab5cd7-1
0.492
ALP-POS-305f6ec3-14
0.492
ALP-POS-95f71980-7
0.492
ALP-POS-95f71980-17
0.492
ALP-UNI-fe744232-13
0.489
ALP-POS-95f71980-11
0.488
ALP-POS-305f6ec3-54
0.488
ALP-POS-95f71980-23
0.488
ALP-POS-95f71980-38
0.485
ALP-POS-ced8ea4d-20
0.485
ALP-POS-95f71980-8
0.485
ALP-POS-ced8ea4d-44
0.484
ALP-POS-95f71980-14
0.484
ALP-POS-02c6a514-22
0.484
ALP-POS-02c6a514-26
0.483
LON-WEI-2e27a2e5-2
0.483
ALP-POS-ced8ea4d-8
0.481
ALP-POS-305f6ec3-10
0.481
ALP-POS-95f71980-31
0.480
ALP-POS-305f6ec3-33
0.480